#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 n LYS 2 N 0.00 0.00 -0.70 -1.24 5.02 -1.26 -5.15 118.16 114.83 1do9 n LYS 2 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1do9 n LYS 2 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.22 1do9 n LYS 2 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1do9 s ASP 3 N -1.84 1.94 0.00 4.39 1.01 -1.26 -5.05 116.67 115.86 1do9 s ASP 3 Ca 0.00 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.97 1do9 s ASP 3 Cb 0.00 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1do9 s ASP 3 CO 0.00 -3.63 0.00 0.52 0.21 0.00 0.00 175.17 172.27 1do9 n VAL 4 N -4.55 0.00 0.00 -1.27 0.31 -1.26 -5.10 118.33 106.46 1do9 n VAL 4 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1do9 n VAL 4 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.18 -3.03 5.55 4.76 -1.26 -4.99 118.16 120.36 1do9 n LYS 5 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1do9 n LYS 5 Cb 0.00 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1do9 n TYR 6 N -1.28 -1.88 -4.15 2.13 4.01 -1.25 -4.91 117.16 109.84 1do9 n TYR 6 Ca 0.00 0.82 -0.30 0.00 -0.16 0.00 0.00 57.90 58.25 1do9 n TYR 6 Cb 0.19 -2.33 -0.08 0.00 -0.31 0.00 0.00 39.34 36.82 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1do9 s TYR 7 N -1.37 2.99 0.26 -0.72 2.02 -0.60 -4.84 117.35 115.10 1do9 s TYR 7 Ca 0.05 -0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.59 1do9 s TYR 7 Cb -0.01 -1.55 -0.08 0.00 -0.40 0.00 0.00 41.96 39.92 1do9 s TYR 7 CO 0.40 0.48 0.66 0.95 -1.57 0.00 0.00 175.55 176.47 1do9 s THR 8 N -1.28 4.75 0.29 -0.71 -4.23 -1.26 -1.40 115.64 111.80 1do9 s THR 8 Ca 0.25 0.86 0.04 0.00 -1.18 0.00 0.00 61.69 61.66 1do9 s THR 8 Cb -0.12 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.35 1do9 s THR 8 CO 0.17 -0.04 1.78 -0.07 -0.54 0.00 0.00 174.62 175.92 1do9 h LEU 9 N 2.66 0.78 -0.75 4.79 -0.00 -1.98 0.19 115.31 121.00 1do9 h LEU 9 Ca -0.48 0.09 0.09 0.00 -0.00 0.00 0.00 57.88 57.58 1do9 h LEU 9 Cb 1.18 -0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 41.72 1do9 h LEU 9 CO 0.66 0.30 0.40 -0.33 -0.00 0.00 0.00 178.44 179.48 1do9 h GLU 10 N 0.78 0.66 0.13 1.13 5.08 -1.98 -0.51 114.58 119.87 1do9 h GLU 10 Ca 0.55 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 1do9 h GLU 10 Cb 0.80 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1do9 h GLU 10 CO -0.36 0.44 -0.06 1.49 -1.00 0.00 0.00 179.01 179.51 1do9 h GLU 11 N 0.68 -0.16 -0.58 2.33 4.57 -1.04 0.76 114.58 121.13 1do9 h GLU 11 Ca 0.36 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.57 1do9 h GLU 11 Cb 0.34 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1do9 h GLU 11 CO -0.25 0.03 0.36 0.82 -1.18 0.00 0.00 179.01 178.79 1do9 h ILE 12 N -0.34 1.08 0.00 2.32 5.03 -1.02 0.13 117.51 124.71 1do9 h ILE 12 Ca -0.02 -0.25 -0.03 0.00 -0.12 0.00 0.00 64.86 64.45 1do9 h ILE 12 Cb 0.28 0.31 -0.00 0.00 -3.03 0.00 0.00 36.82 34.37 1do9 h ILE 12 CO 0.03 0.13 -0.15 0.11 -0.68 0.00 0.00 178.15 177.59 1do9 h LYS 13 N 0.72 0.00 0.00 2.37 1.57 -1.03 -1.34 116.57 118.86 1do9 h LYS 13 Ca 0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1do9 h LYS 13 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1do9 h LYS 13 CO -0.09 0.15 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.59 1do9 h LYS 14 N 0.00 0.00 -4.28 3.15 3.64 0.18 -3.37 116.57 115.89 1do9 h LYS 14 Ca -0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 1do9 h LYS 14 Cb 0.34 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.76 1do9 h LYS 14 CO 0.02 0.13 -0.69 -1.01 -2.27 0.00 0.00 179.45 175.62 1do9 s HIS 15 N -4.30 3.56 0.00 1.91 0.09 -0.50 -4.83 115.29 111.23 1do9 s HIS 15 Ca -0.03 -3.05 0.00 0.00 -0.00 0.00 0.00 55.06 51.98 1do9 s HIS 15 Cb 0.14 -2.88 0.00 0.00 -0.00 0.00 0.00 32.58 29.84 1do9 s HIS 15 CO 0.60 -0.89 0.62 0.27 -0.00 0.00 0.00 174.74 175.35 1do9 n ASN 16 N 3.91 0.00 -4.75 1.40 0.23 -1.21 -2.48 115.26 112.36 1do9 n ASN 16 Ca 0.04 -1.27 -0.34 0.00 -0.53 0.00 0.00 54.58 52.49 1do9 n ASN 16 Cb 0.39 -0.05 -0.07 0.00 -2.08 0.00 0.00 39.78 37.97 1do9 n ASN 16 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1do9 n HIS 17 N 0.00 1.21 -1.72 -2.53 1.44 -1.26 -4.81 115.22 107.54 1do9 n HIS 17 Ca 0.00 -2.58 -0.39 0.00 -2.01 0.00 0.00 57.72 52.74 1do9 n HIS 17 Cb 0.55 -0.35 -0.04 0.00 0.12 0.00 0.00 29.99 30.28 1do9 n HIS 17 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1do9 n SER 18 N -1.32 3.31 0.00 4.39 3.41 -1.26 -2.31 113.62 119.85 1do9 n SER 18 Ca -0.22 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1do9 n SER 18 Cb 0.66 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1do9 n LYS 19 N 7.35 0.00 -2.78 4.33 0.00 -1.26 -4.99 118.16 120.82 1do9 n LYS 19 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.70 1do9 n LYS 19 Cb 0.43 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.51 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 -0.52 -2.47 -4.57 3.14 7.64 -1.06 -4.94 113.62 110.84 1do9 n SER 20 Ca 0.00 -3.40 -0.16 0.00 1.01 0.00 0.00 58.87 56.32 1do9 n SER 20 Cb 0.00 1.68 -0.08 0.00 -1.01 0.00 0.00 64.21 64.80 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1do9 s THR 21 N 0.38 3.10 0.77 0.44 2.01 -0.98 -3.30 115.64 118.06 1do9 s THR 21 Ca 0.29 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 1do9 s THR 21 Cb 0.25 -3.58 0.14 0.00 0.01 0.00 0.00 72.50 69.32 1do9 s THR 21 CO -0.17 -0.19 1.07 0.26 -0.69 0.00 0.00 174.62 174.89 1do9 s TRP 22 N 14.95 1.60 0.10 4.92 0.52 -1.03 -1.60 118.94 138.40 1do9 s TRP 22 Ca 0.85 -0.14 -0.25 0.00 0.02 0.00 0.00 56.10 56.57 1do9 s TRP 22 Cb -0.09 -3.24 0.09 0.00 -1.15 0.00 0.00 33.47 29.08 1do9 s TRP 22 CO 0.11 -1.92 1.12 -0.48 0.02 0.00 0.00 176.95 175.81 1do9 s LEU 23 N -5.31 -0.04 -0.40 2.99 0.05 -0.68 -0.84 118.68 114.45 1do9 s LEU 23 Ca 0.68 -0.43 0.03 0.00 0.05 0.00 0.00 54.13 54.46 1do9 s LEU 23 Cb -0.05 1.81 0.11 0.00 -2.05 0.00 0.00 46.19 46.01 1do9 s LEU 23 CO 0.46 -0.71 0.14 -0.63 -0.55 0.00 0.00 176.35 175.06 1do9 s ILE 24 N -2.38 2.10 -0.57 1.48 1.01 0.26 -2.08 121.20 121.03 1do9 s ILE 24 Ca 0.20 -2.54 -0.12 0.00 0.00 0.00 0.00 60.65 58.20 1do9 s ILE 24 Cb -0.01 -2.52 0.14 0.00 0.01 0.00 0.00 42.46 40.09 1do9 s ILE 24 CO 0.02 -0.70 0.47 -0.76 0.00 0.00 0.00 174.94 173.97 1do9 s LEU 25 N 0.58 6.00 -0.20 2.97 1.43 -1.16 -1.61 118.68 126.70 1do9 s LEU 25 Ca 0.13 -2.08 -0.01 0.00 -1.03 0.00 0.00 54.13 51.15 1do9 s LEU 25 Cb -0.21 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1do9 s LEU 25 CO -0.07 -0.70 0.19 1.41 0.23 0.00 0.00 176.35 177.41 1do9 n HIS 26 N 4.75 -0.87 -3.52 0.29 8.25 -1.26 -3.88 115.22 118.97 1do9 n HIS 26 Ca -0.05 0.34 -0.22 0.00 -0.26 0.00 0.00 57.72 57.53 1do9 n HIS 26 Cb 0.41 -2.24 -0.06 0.00 1.12 0.00 0.00 29.99 29.22 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1do9 n HIS 27 N -1.10 -0.75 -3.99 4.41 1.44 -1.26 -4.90 115.22 109.07 1do9 n HIS 27 Ca 0.01 0.39 -0.08 0.00 -2.01 0.00 0.00 57.72 56.03 1do9 n HIS 27 Cb 0.45 -1.50 -0.09 0.00 0.12 0.00 0.00 29.99 28.97 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1do9 s LYS 28 N -5.37 0.67 -0.23 -1.40 -0.14 -1.25 -3.96 119.74 108.05 1do9 s LYS 28 Ca 0.20 -1.04 -0.01 0.00 -1.36 0.00 0.00 55.97 53.75 1do9 s LYS 28 Cb -0.11 0.25 0.02 0.00 -1.68 0.00 0.00 37.83 36.31 1do9 s LYS 28 CO 0.62 -0.16 -0.08 0.08 -0.76 0.00 0.00 175.35 175.04 1do9 s VAL 29 N -3.61 2.77 0.21 3.17 1.01 -0.89 -2.99 120.40 120.07 1do9 s VAL 29 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1do9 s VAL 29 Cb 0.05 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1do9 s VAL 29 CO -0.09 0.28 -0.03 -0.31 0.00 0.00 0.00 175.10 174.95 1do9 s TYR 30 N 1.33 2.72 -0.14 5.22 2.02 -0.88 -1.37 117.35 126.25 1do9 s TYR 30 Ca 0.01 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1do9 s TYR 30 Cb -0.16 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1do9 s TYR 30 CO -0.06 0.55 -0.06 0.34 -1.57 0.00 0.00 175.55 174.75 1do9 s ASP 31 N -3.17 2.52 -0.14 2.29 -1.08 0.17 -1.69 116.67 115.57 1do9 s ASP 31 Ca 0.28 -0.49 0.18 0.00 -0.52 0.00 0.00 52.55 51.99 1do9 s ASP 31 Cb -0.08 -0.86 0.30 0.00 -1.46 0.00 0.00 42.92 40.82 1do9 s ASP 31 CO 0.18 -0.16 1.16 0.18 0.52 0.00 0.00 175.17 177.05 1do9 n LEU 32 N 4.92 2.36 -0.21 -1.34 4.77 -0.63 -4.66 117.00 122.21 1do9 n LEU 32 Ca -0.12 -3.15 0.01 0.00 -0.03 0.00 0.00 56.01 52.72 1do9 n LEU 32 Cb 0.49 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1do9 n LEU 32 CO 0.16 0.78 0.85 0.74 -1.33 0.00 0.00 177.39 178.60 1do9 h THR 33 N 0.23 0.51 -0.01 -5.08 2.02 -1.92 0.32 112.91 108.99 1do9 h THR 33 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1do9 h THR 33 Cb 1.01 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1do9 h THR 33 CO 0.00 0.03 -0.08 1.17 0.37 0.00 0.00 175.52 177.01 1do9 n LYS 34 N -5.25 0.93 0.00 6.66 0.00 -1.26 -3.26 118.16 115.98 1do9 n LYS 34 Ca 0.09 -0.34 0.07 0.00 0.00 0.00 0.00 58.31 58.13 1do9 n LYS 34 Cb 0.36 -1.49 -0.05 0.00 0.00 0.00 0.00 35.03 33.85 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 -0.73 0.00 0.07 5.64 7.35 0.02 -4.53 117.46 125.28 1do9 n PHE 35 Ca 0.17 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.74 1do9 n PHE 35 Cb 0.27 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.02 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 0.73 -1.20 -1.75 -2.13 3.38 -0.44 0.32 115.31 114.22 1do9 h LEU 36 Ca 0.00 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1do9 h LEU 36 Cb 0.41 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1do9 h LEU 36 CO 0.00 -0.41 0.04 -0.62 0.09 0.00 0.00 178.44 177.54 1do9 n GLU 37 N -4.69 1.40 0.00 1.13 -0.58 -1.26 -3.13 120.64 113.50 1do9 n GLU 37 Ca -0.06 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 1do9 n GLU 37 Cb 0.30 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.16 -0.15 -3.06 3.49 1.02 -0.20 -5.07 120.64 116.83 1do9 n GLU 38 Ca 0.06 -0.21 -0.40 0.00 -0.02 0.00 0.00 57.16 56.59 1do9 n GLU 38 Cb 0.50 -0.64 -0.05 0.00 -0.02 0.00 0.00 31.44 31.24 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1do9 s HIS 39 N -0.03 3.46 -0.97 -0.32 2.46 0.97 -4.97 115.29 115.87 1do9 s HIS 39 Ca 0.00 1.09 -0.24 0.00 0.47 0.00 0.00 55.06 56.38 1do9 s HIS 39 Cb 0.00 -2.83 -0.03 0.00 -0.13 0.00 0.00 32.58 29.59 1do9 s HIS 39 CO 0.00 -0.08 1.85 -1.25 -2.47 0.00 0.00 174.74 172.78 1do9 s PRO 40 N 1.53 2.78 0.00 2.88 0.04 -1.26 -3.88 135.00 137.09 1do9 s PRO 40 Ca 0.33 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1do9 s PRO 40 Cb -0.16 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1do9 s PRO 40 CO 0.13 -3.20 0.00 0.41 0.04 0.00 0.00 177.00 174.38 1do9 n GLY 41 N 6.68 -0.68 3.47 0.56 0.00 -1.26 -5.12 105.19 108.83 1do9 n GLY 41 Ca 0.40 0.28 -0.15 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.44 0.02 -0.02 0.00 -1.25 -5.05 107.32 100.58 1do9 s GLY 42 Ca 0.00 1.37 0.14 0.00 0.00 0.00 0.00 44.72 46.23 1do9 s GLY 42 CO 0.00 1.11 0.79 1.05 0.00 0.00 0.00 173.10 176.05 1do9 h GLU 43 N 4.34 0.00 -0.11 2.90 -0.00 -1.85 -3.39 114.58 116.47 1do9 h GLU 43 Ca -0.28 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 58.89 1do9 h GLU 43 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1do9 h GLU 43 CO 0.25 0.46 -0.71 1.49 -0.00 0.00 0.00 179.01 180.50 1do9 h GLU 44 N 0.00 0.50 -0.70 1.06 4.81 -1.96 -0.16 114.58 118.12 1do9 h GLU 44 Ca -0.21 -0.39 0.20 0.00 -0.13 0.00 0.00 59.36 58.83 1do9 h GLU 44 Cb 1.82 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 31.25 1do9 h GLU 44 CO 0.07 1.02 0.50 -0.39 -0.73 0.00 0.00 179.01 179.48 1do9 h VAL 45 N 0.35 0.65 0.00 0.32 -1.51 -2.00 0.18 116.25 114.25 1do9 h VAL 45 Ca -0.03 -0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.33 1do9 h VAL 45 Cb 1.29 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 1do9 h VAL 45 CO 0.13 0.00 -0.53 -0.07 -1.23 0.00 0.00 177.57 175.87 1do9 h LEU 46 N 0.01 0.00 0.00 4.19 3.38 -1.21 -2.66 115.31 119.01 1do9 h LEU 46 Ca 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 1do9 h LEU 46 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1do9 h LEU 46 CO -0.01 0.53 -0.79 -0.09 0.09 0.00 0.00 178.44 178.17 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.67 -2.56 114.38 114.71 1do9 h ARG 47 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1do9 h ARG 47 Cb 1.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1do9 h ARG 47 CO 0.07 0.45 -0.07 0.93 -1.51 0.00 0.00 179.97 179.84 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 -0.47 -2.35 114.58 117.04 1do9 h GLU 48 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1do9 h GLU 48 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1do9 h GLU 48 CO 0.06 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 179.18 1do9 n GLN 49 N -3.25 1.95 -1.75 2.33 1.13 -1.20 -5.03 117.38 111.56 1do9 n GLN 49 Ca -0.00 -1.22 -0.38 0.00 -1.94 0.00 0.00 57.00 53.46 1do9 n GLN 49 Cb 0.29 -0.97 0.05 0.00 0.11 0.00 0.00 30.24 29.72 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 s ALA 50 N -0.72 2.73 -1.35 -1.58 0.00 -0.89 -1.27 121.76 118.68 1do9 s ALA 50 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1do9 s ALA 50 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1do9 s ALA 50 CO 0.00 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.71 1do9 n GLY 51 N 0.77 0.64 3.43 0.00 0.00 -0.02 -4.84 105.19 105.17 1do9 n GLY 51 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1do9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 52 N -0.47 1.83 3.58 -0.02 0.00 -0.40 -4.02 105.19 105.69 1do9 n GLY 52 Ca -0.15 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1do9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1do9 s ASP 53 N -3.12 6.38 0.00 1.61 2.15 -1.26 -0.58 116.67 121.85 1do9 s ASP 53 Ca 0.25 0.20 0.24 0.00 0.43 0.00 0.00 52.55 53.67 1do9 s ASP 53 Cb -0.02 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.29 1do9 s ASP 53 CO 0.18 -1.52 1.24 0.00 -0.17 0.00 0.00 175.17 174.90 1do9 n ALA 54 N 8.69 3.38 -0.29 3.66 0.00 -0.63 -4.42 120.51 130.90 1do9 n ALA 54 Ca 0.10 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 53.01 1do9 n ALA 54 Cb 0.49 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.23 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 2.13 0.86 -0.98 0.00 2.02 -1.88 -0.60 112.91 114.47 1do9 h THR 55 Ca 0.00 -0.26 0.20 0.00 0.77 0.00 0.00 66.41 67.12 1do9 h THR 55 Cb 0.69 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.05 1do9 h THR 55 CO 0.00 0.14 0.62 1.05 0.37 0.00 0.00 175.52 177.69 1do9 h GLU 56 N 0.76 0.58 0.10 6.66 4.11 -1.93 0.17 114.58 125.03 1do9 h GLU 56 Ca 0.42 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.81 1do9 h GLU 56 Cb 0.44 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1do9 h GLU 56 CO -0.28 0.39 -0.05 -0.91 0.07 0.00 0.00 179.01 178.23 1do9 h ASN 57 N 0.60 -0.11 -0.86 3.06 2.35 -1.48 -0.28 115.58 118.87 1do9 h ASN 57 Ca 0.54 -0.45 0.16 0.00 -0.55 0.00 0.00 56.30 56.01 1do9 h ASN 57 Cb 1.07 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.40 1do9 h ASN 57 CO -0.30 0.53 0.56 0.15 -1.65 0.00 0.00 177.43 176.73 1do9 h PHE 58 N -0.91 0.66 0.18 1.19 3.04 -0.39 -1.71 116.94 119.00 1do9 h PHE 58 Ca -0.01 0.02 -0.32 0.00 3.98 0.00 0.00 57.97 61.63 1do9 h PHE 58 Cb 0.55 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.86 1do9 h PHE 58 CO 0.12 0.23 -1.53 0.93 -2.02 0.00 0.00 178.31 176.03 1do9 h GLU 59 N 0.54 0.37 -0.57 1.11 4.39 -1.08 -0.30 114.58 119.05 1do9 h GLU 59 Ca 0.43 -0.64 0.07 0.00 0.34 0.00 0.00 59.36 59.57 1do9 h GLU 59 Cb 0.87 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.70 1do9 h GLU 59 CO -0.18 1.28 0.24 -0.44 -1.16 0.00 0.00 179.01 178.75 1do9 h ASP 60 N 0.10 0.28 0.17 1.42 3.32 -0.23 -1.38 116.42 120.10 1do9 h ASP 60 Ca -0.26 0.06 -0.28 0.00 0.02 0.00 0.00 57.03 56.57 1do9 h ASP 60 Cb 2.08 0.02 0.03 0.00 0.22 0.00 0.00 39.33 41.68 1do9 h ASP 60 CO 0.21 0.18 -1.22 0.58 -1.72 0.00 0.00 179.24 177.27 1do9 h VAL 61 N 0.44 1.34 0.00 -1.35 2.07 -1.46 -3.48 116.25 113.81 1do9 h VAL 61 Ca 0.27 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1do9 h VAL 61 Cb 0.28 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1do9 h VAL 61 CO -0.25 0.76 0.00 0.61 0.02 0.00 0.00 177.57 178.71 1do9 n GLY 62 N 1.55 3.10 1.17 2.17 0.00 -0.13 -5.02 105.19 108.04 1do9 n GLY 62 Ca -0.15 -0.98 0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.82 -3.46 1.61 8.25 -1.21 -4.69 115.22 112.90 1do9 n HIS 63 Ca 0.00 1.44 -0.20 0.00 -0.26 0.00 0.00 57.72 58.70 1do9 n HIS 63 Cb 0.00 -2.56 -0.02 0.00 1.12 0.00 0.00 29.99 28.53 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 -5.96 5.14 0.26 0.41 0.01 -1.26 -5.01 113.70 107.29 1do9 s SER 64 Ca 0.00 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.57 1do9 s SER 64 Cb 0.00 -0.51 0.34 0.00 0.21 0.00 0.00 66.02 66.06 1do9 s SER 64 CO 0.00 -0.72 1.65 0.74 0.41 0.00 0.00 173.24 175.32 1do9 h THR 65 N 0.92 1.31 -0.87 1.44 2.02 -1.98 -0.27 112.91 115.49 1do9 h THR 65 Ca -0.41 -1.56 0.09 0.00 0.77 0.00 0.00 66.41 65.31 1do9 h THR 65 Cb 1.27 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 69.24 1do9 h THR 65 CO 0.55 0.48 0.51 -0.78 0.37 0.00 0.00 175.52 176.64 1do9 h ASP 66 N 0.32 0.75 0.61 4.18 1.82 -1.99 0.11 116.42 122.22 1do9 h ASP 66 Ca 0.03 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.59 1do9 h ASP 66 Cb 0.86 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1do9 h ASP 66 CO 0.07 0.43 -0.59 0.00 -1.61 0.00 0.00 179.24 177.53 1do9 h ALA 67 N 1.46 1.01 0.00 -0.78 0.00 -1.78 -1.05 119.26 118.12 1do9 h ALA 67 Ca 0.41 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1do9 h ALA 67 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1do9 h ALA 67 CO -0.24 0.74 -0.22 -0.09 0.00 0.00 0.00 179.25 179.44 1do9 h ARG 68 N 0.00 0.00 0.19 0.00 9.65 0.88 -3.32 114.38 121.78 1do9 h ARG 68 Ca -0.01 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.52 1do9 h ARG 68 Cb 1.06 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1do9 h ARG 68 CO 0.08 0.22 -1.74 0.93 2.80 0.00 0.00 179.97 182.26 1do9 h GLU 69 N 0.00 0.40 -0.54 0.20 4.39 0.28 -3.10 114.58 116.21 1do9 h GLU 69 Ca -0.00 -0.68 0.16 0.00 0.34 0.00 0.00 59.36 59.17 1do9 h GLU 69 Cb 0.73 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1do9 h GLU 69 CO 0.03 1.32 0.41 -0.07 -1.16 0.00 0.00 179.01 179.54 1do9 h LEU 70 N 0.11 0.00 -1.11 1.33 3.38 -1.50 0.69 115.31 118.20 1do9 h LEU 70 Ca -0.34 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.78 1do9 h LEU 70 Cb 2.10 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.77 1do9 h LEU 70 CO 0.18 0.00 0.61 0.77 0.09 0.00 0.00 178.44 180.09 1do9 h SER 71 N 0.00 0.79 -0.11 -0.43 4.64 -1.63 -0.73 113.55 116.09 1do9 h SER 71 Ca 0.26 0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1do9 h SER 71 Cb 1.07 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1do9 h SER 71 CO -0.00 0.37 0.12 0.50 -0.87 0.00 0.00 176.83 176.95 1do9 h LYS 72 N 0.82 0.00 -0.17 4.77 1.63 -1.00 0.60 116.57 123.23 1do9 h LYS 72 Ca 0.51 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1do9 h LYS 72 Cb 0.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1do9 h LYS 72 CO -0.28 0.00 0.00 -2.37 -3.45 0.00 0.00 179.45 173.35 1do9 n THR 73 N -3.88 0.21 0.00 1.00 5.66 -0.28 -4.01 114.28 112.97 1do9 n THR 73 Ca -0.00 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1do9 n THR 73 Cb 0.22 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 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 0.53 0.00 -1.68 1.09 3.72 0.06 -5.00 117.46 116.18 1do9 n PHE 74 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1do9 n PHE 74 Cb 0.39 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1do9 n ILE 75 N -1.44 0.57 0.46 4.37 3.06 -0.35 -0.66 119.36 125.37 1do9 n ILE 75 Ca 0.00 -0.10 0.05 0.00 -2.50 0.00 0.00 62.75 60.20 1do9 n ILE 75 Cb 0.02 -2.22 0.02 0.00 0.54 0.00 0.00 39.64 38.00 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1do9 n ILE 76 N 5.13 0.00 -3.33 9.51 -6.64 -0.47 -4.90 119.36 118.65 1do9 n ILE 76 Ca 0.19 -0.44 0.00 0.00 -1.77 0.00 0.00 62.75 60.73 1do9 n ILE 76 Cb 0.39 1.17 0.00 0.00 -1.44 0.00 0.00 39.64 39.76 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 0.77 -0.81 3.11 3.28 0.00 -1.08 -4.51 105.19 105.95 1do9 n GLY 77 Ca 0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1do9 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1do9 s GLU 78 N -0.66 0.58 0.32 1.61 -6.30 -1.26 -2.09 118.70 110.90 1do9 s GLU 78 Ca 0.00 -0.73 -0.29 0.00 -2.50 0.00 0.00 54.97 51.45 1do9 s GLU 78 Cb 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 34.13 34.23 1do9 s GLU 78 CO 0.00 -0.14 1.33 1.28 0.02 0.00 0.00 175.26 177.74 1do9 n LEU 79 N 0.82 3.49 -4.42 2.70 4.32 -1.25 -1.56 117.00 121.09 1do9 n LEU 79 Ca -0.19 1.19 -0.36 0.00 -0.02 0.00 0.00 56.01 56.63 1do9 n LEU 79 Cb 0.58 -1.48 0.07 0.00 -1.62 0.00 0.00 43.42 40.98 1do9 n LEU 79 CO 0.23 -0.46 -0.09 1.41 -1.22 0.00 0.00 177.39 177.26 1do9 n HIS 80 N 0.72 -1.31 -0.01 -1.77 8.25 -0.49 -4.76 115.22 115.85 1do9 n HIS 80 Ca 0.06 0.31 -0.11 0.00 -0.26 0.00 0.00 57.72 57.72 1do9 n HIS 80 Cb 0.35 -1.85 0.03 0.00 1.12 0.00 0.00 29.99 29.64 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1do9 h PRO 81 N -0.62 0.61 -0.54 -0.41 0.13 -1.92 -2.31 132.00 126.95 1do9 h PRO 81 Ca -0.45 -0.40 0.03 0.00 -0.87 0.00 0.00 66.00 64.32 1do9 h PRO 81 Cb 1.34 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.48 1do9 h PRO 81 CO 0.40 1.01 0.30 0.22 -0.23 0.00 0.00 178.00 179.70 1do9 h ASP 82 N 0.46 0.47 -0.69 1.44 1.82 -2.01 -1.69 116.42 116.23 1do9 h ASP 82 Ca 0.00 0.01 -0.45 0.00 -0.39 0.00 0.00 57.03 56.21 1do9 h ASP 82 Cb 1.13 -0.08 -0.19 0.00 0.68 0.00 0.00 39.33 40.87 1do9 h ASP 82 CO 0.11 0.33 0.57 0.47 -1.61 0.00 0.00 179.24 179.11 1do9 n ASP 83 N -4.82 6.88 -0.03 2.28 9.92 -0.98 -4.06 116.55 125.75 1do9 n ASP 83 Ca 0.05 -3.31 -0.03 0.00 -0.53 0.00 0.00 54.79 50.96 1do9 n ASP 83 Cb 0.10 -1.04 -0.03 0.00 -0.64 0.00 0.00 41.12 39.51 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1do9 n ARG 84 N -0.04 0.91 -1.65 -1.24 0.63 -0.64 -4.60 116.66 110.04 1do9 n ARG 84 Ca 0.42 0.02 -0.01 0.00 -0.92 0.00 0.00 57.85 57.36 1do9 n ARG 84 Cb 0.60 -1.11 0.08 0.00 0.45 0.00 0.00 32.46 32.47 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1do9 n SER 85 N -2.54 1.99 -1.66 6.15 2.88 -1.25 -4.79 113.62 114.40 1do9 n SER 85 Ca -0.09 -2.81 -0.02 0.00 -1.33 0.00 0.00 58.87 54.62 1do9 n SER 85 Cb 0.62 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.38 0.44 -3.62 -1.46 0.00 -1.26 -5.06 118.16 106.82 1do9 n LYS 86 Ca 0.16 -1.66 -0.39 0.00 0.00 0.00 0.00 58.31 56.41 1do9 n LYS 86 Cb 0.92 0.07 -0.09 0.00 0.00 0.00 0.00 35.03 35.92 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 -1.15 5.56 0.13 3.14 1.43 -1.26 -4.68 118.68 121.86 1do9 s LEU 87 Ca 0.16 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 1do9 s LEU 87 Cb 0.24 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1do9 s LEU 87 CO -0.08 -0.65 0.00 -0.24 0.23 0.00 0.00 176.35 175.61 1do9 n SER 88 N 4.81 -1.20 -4.62 2.29 2.88 -1.26 -5.11 113.62 111.40 1do9 n SER 88 Ca -0.06 0.48 -0.43 0.00 -1.33 0.00 0.00 58.87 57.53 1do9 n SER 88 Cb 0.41 1.39 -0.03 0.00 -0.75 0.00 0.00 64.21 65.23 1do9 n SER 88 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1do9 s LYS 89 N -2.00 3.54 -0.05 -1.46 3.01 -1.26 -4.88 119.74 116.64 1do9 s LYS 89 Ca 0.00 2.18 -0.26 0.00 -1.01 0.00 0.00 55.97 56.88 1do9 s LYS 89 Cb 0.00 -4.27 -0.22 0.00 -1.01 0.00 0.00 37.83 32.33 1do9 s LYS 89 CO 0.00 -1.64 1.11 -1.00 0.51 0.00 0.00 175.35 174.33 1do9 h PRO 90 N 13.10 0.04 -1.82 -1.68 0.13 -1.99 -3.47 132.00 136.31 1do9 h PRO 90 Ca -0.43 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1do9 h PRO 90 Cb 1.23 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 1do9 h PRO 90 CO 0.96 0.69 0.26 1.41 -0.23 0.00 0.00 178.00 181.09 1do9 s MET 91 N -3.58 0.67 0.12 0.86 1.75 -1.26 -5.05 119.30 112.82 1do9 s MET 91 Ca -0.17 0.85 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 1do9 s MET 91 Cb 0.00 0.30 0.00 0.00 2.84 0.00 0.00 34.83 37.97 1do9 s MET 91 CO 0.69 -0.09 0.00 -1.91 -0.65 0.00 0.00 175.02 173.06 1do9 n GLU 92 N 2.73 0.00 0.00 4.11 4.07 -1.26 -5.17 120.64 125.12 1do9 n GLU 92 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1do9 n GLU 92 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1do9 n GLU 92 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1do9 n THR 93 N -2.87 0.00 -1.19 6.31 -2.24 -1.26 -5.30 114.28 107.74 1do9 n THR 93 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1do9 n THR 93 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39