#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 h LYS 2 N 0.00 0.63 -7.32 -0.67 1.57 -2.10 -3.43 116.57 105.25 1do9 h LYS 2 Ca 0.00 -0.25 -0.41 0.00 -1.87 0.00 0.00 60.65 58.11 1do9 h LYS 2 Cb 0.00 -0.03 0.19 0.00 0.08 0.00 0.00 32.23 32.47 1do9 h LYS 2 CO 0.00 0.82 0.09 -0.51 -0.57 0.00 0.00 179.45 179.28 1do9 s ASP 3 N -6.78 0.77 0.00 0.86 1.11 -1.26 -5.09 116.67 106.28 1do9 s ASP 3 Ca -0.08 0.77 0.00 0.00 0.18 0.00 0.00 52.55 53.42 1do9 s ASP 3 Cb 0.13 -1.12 0.00 0.00 1.07 0.00 0.00 42.92 43.01 1do9 s ASP 3 CO 0.81 -4.23 0.00 0.52 1.18 0.00 0.00 175.17 173.45 1do9 n VAL 4 N -4.85 0.00 0.04 -1.27 0.31 -1.26 -5.09 118.33 106.21 1do9 n VAL 4 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1do9 n VAL 4 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 -3.07 5.55 4.01 -1.26 -4.94 118.16 118.45 1do9 n LYS 5 Ca 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 1do9 n LYS 5 Cb 0.00 -0.39 0.00 0.00 -0.51 0.00 0.00 35.03 34.13 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 -3.24 -1.38 -3.83 2.13 4.02 -1.26 -4.93 117.16 108.67 1do9 n TYR 6 Ca 0.00 0.60 -0.21 0.00 -0.01 0.00 0.00 57.90 58.28 1do9 n TYR 6 Cb 0.17 -1.97 -0.03 0.00 -0.02 0.00 0.00 39.34 37.48 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 -1.25 2.98 0.19 -0.72 2.02 -0.95 -4.82 117.35 114.81 1do9 s TYR 7 Ca 0.03 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1do9 s TYR 7 Cb -0.00 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 1do9 s TYR 7 CO 0.29 0.23 0.28 0.95 -1.57 0.00 0.00 175.55 175.73 1do9 s THR 8 N -2.25 5.10 0.18 -0.71 -4.23 -1.26 -1.15 115.64 111.32 1do9 s THR 8 Ca 0.40 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.86 1do9 s THR 8 Cb -0.07 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.17 1do9 s THR 8 CO 0.27 -0.20 1.81 -0.07 -0.54 0.00 0.00 174.62 175.89 1do9 h LEU 9 N 1.78 0.51 -2.49 4.79 -0.00 -1.98 -0.32 115.31 117.60 1do9 h LEU 9 Ca -0.50 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.40 1do9 h LEU 9 Cb 1.21 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1do9 h LEU 9 CO 0.64 0.36 0.05 -0.08 -0.00 0.00 0.00 178.44 179.41 1do9 h GLU 10 N 0.63 0.00 0.00 1.13 4.81 -1.95 -0.96 114.58 118.24 1do9 h GLU 10 Ca 0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1do9 h GLU 10 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1do9 h GLU 10 CO -0.11 0.00 -0.00 1.49 -0.73 0.00 0.00 179.01 179.66 1do9 h GLU 11 N 0.00 -0.00 -0.33 1.92 4.57 -1.50 -3.31 114.58 115.93 1do9 h GLU 11 Ca 0.02 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1do9 h GLU 11 Cb 0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1do9 h GLU 11 CO -0.00 0.91 0.23 0.82 -1.18 0.00 0.00 179.01 179.79 1do9 h ILE 12 N -0.99 0.94 0.00 2.32 5.03 -0.37 0.23 117.51 124.68 1do9 h ILE 12 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1do9 h ILE 12 Cb 0.92 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 35.43 1do9 h ILE 12 CO 0.00 0.04 0.00 0.29 -0.68 0.00 0.00 178.15 177.80 1do9 n LYS 13 N -4.48 1.00 0.00 2.37 4.01 -0.45 -3.21 118.16 117.40 1do9 n LYS 13 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1do9 n LYS 13 Cb 0.26 -1.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.78 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 0.88 1.40 -3.71 1.97 4.01 0.81 -5.00 118.16 118.53 1do9 n LYS 14 Ca 0.00 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.42 1do9 n LYS 14 Cb 0.50 -0.82 -0.11 0.00 -0.51 0.00 0.00 35.03 34.08 1do9 n LYS 14 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1do9 s HIS 15 N -1.65 3.39 -0.35 2.13 0.09 -1.20 -4.85 115.29 112.86 1do9 s HIS 15 Ca 0.00 -1.82 0.04 0.00 -0.00 0.00 0.00 55.06 53.28 1do9 s HIS 15 Cb 0.00 -2.86 0.21 0.00 -0.00 0.00 0.00 32.58 29.93 1do9 s HIS 15 CO 0.00 -0.87 1.19 0.27 -0.00 0.00 0.00 174.74 175.33 1do9 n ASN 16 N 4.78 -1.47 -2.72 1.40 0.23 -0.31 -3.31 115.26 113.87 1do9 n ASN 16 Ca -0.09 -2.06 -0.10 0.00 -0.53 0.00 0.00 54.58 51.81 1do9 n ASN 16 Cb 0.43 1.09 0.03 0.00 -2.08 0.00 0.00 39.78 39.24 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 -0.37 0.83 0.00 -2.53 1.44 -1.25 -4.85 115.22 108.50 1do9 n HIS 17 Ca -0.15 -2.84 0.00 0.00 -2.01 0.00 0.00 57.72 52.71 1do9 n HIS 17 Cb 0.73 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1do9 n HIS 17 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1do9 n SER 18 N -0.05 0.00 -0.93 4.39 2.88 -1.26 -4.51 113.62 114.14 1do9 n SER 18 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1do9 n SER 18 Cb 0.80 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 1do9 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1do9 n LYS 19 N 0.00 0.76 0.00 -1.46 5.02 -1.26 -3.15 118.16 118.07 1do9 n LYS 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1do9 n LYS 19 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1do9 n SER 20 N 0.55 0.00 -4.58 4.39 3.41 -1.26 -4.99 113.62 111.14 1do9 n SER 20 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1do9 n SER 20 Cb 0.36 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1do9 s THR 21 N 0.00 3.30 0.95 6.66 2.01 -1.19 -1.16 115.64 126.21 1do9 s THR 21 Ca 0.00 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 1do9 s THR 21 Cb 0.00 -4.16 0.20 0.00 0.01 0.00 0.00 72.50 68.54 1do9 s THR 21 CO 0.00 -0.56 1.30 0.26 -0.69 0.00 0.00 174.62 174.93 1do9 s TRP 22 N 13.45 1.60 -0.05 4.92 0.51 -1.21 -1.78 118.94 136.38 1do9 s TRP 22 Ca 0.75 0.28 -0.31 0.00 -2.12 0.00 0.00 56.10 54.70 1do9 s TRP 22 Cb -0.04 -4.05 0.12 0.00 -0.81 0.00 0.00 33.47 28.69 1do9 s TRP 22 CO 0.13 -2.59 1.22 -0.48 -0.51 0.00 0.00 176.95 174.73 1do9 s LEU 23 N -5.84 -0.10 -0.32 2.99 0.05 -0.89 -0.77 118.68 113.80 1do9 s LEU 23 Ca 0.73 -0.12 -0.05 0.00 0.05 0.00 0.00 54.13 54.75 1do9 s LEU 23 Cb -0.04 1.47 0.04 0.00 -2.05 0.00 0.00 46.19 45.61 1do9 s LEU 23 CO 0.52 -0.34 0.06 -0.63 -0.55 0.00 0.00 176.35 175.41 1do9 s ILE 24 N -2.52 3.51 -0.38 1.48 -1.09 -0.11 -1.52 121.20 120.57 1do9 s ILE 24 Ca 0.12 -1.14 -0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1do9 s ILE 24 Cb 0.02 -2.96 0.11 0.00 -1.58 0.00 0.00 42.46 38.05 1do9 s ILE 24 CO -0.04 -0.10 0.15 -0.76 -1.23 0.00 0.00 174.94 172.96 1do9 s LEU 25 N 1.37 5.08 -0.32 2.97 1.43 -1.10 -2.20 118.68 125.90 1do9 s LEU 25 Ca -0.02 -2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 50.98 1do9 s LEU 25 Cb -0.19 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1do9 s LEU 25 CO 0.01 -0.48 0.33 1.41 0.23 0.00 0.00 176.35 177.85 1do9 n HIS 26 N 4.47 -1.54 -3.44 0.29 8.25 -1.26 -3.91 115.22 118.08 1do9 n HIS 26 Ca 0.00 0.60 -0.24 0.00 -0.26 0.00 0.00 57.72 57.82 1do9 n HIS 26 Cb 0.42 -2.78 -0.05 0.00 1.12 0.00 0.00 29.99 28.69 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 -1.10 -0.72 -3.94 4.41 8.25 -1.26 -4.91 115.22 115.94 1do9 n HIS 27 Ca 0.02 0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 57.79 1do9 n HIS 27 Cb 0.42 -1.32 -0.09 0.00 1.12 0.00 0.00 29.99 30.12 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 -5.08 0.63 -0.20 -0.41 1.02 -1.25 -2.72 119.74 111.71 1do9 s LYS 28 Ca 0.34 -0.84 -0.07 0.00 0.02 0.00 0.00 55.97 55.42 1do9 s LYS 28 Cb -0.20 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1do9 s LYS 28 CO 0.62 -0.16 0.06 0.08 -0.92 0.00 0.00 175.35 175.03 1do9 s VAL 29 N -2.96 4.54 0.27 3.17 1.01 -0.71 -2.69 120.40 123.03 1do9 s VAL 29 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.95 1do9 s VAL 29 Cb 0.01 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1do9 s VAL 29 CO -0.06 0.41 -0.16 -0.31 0.00 0.00 0.00 175.10 174.98 1do9 s TYR 30 N 0.84 2.12 -0.18 5.22 1.51 -0.58 -1.11 117.35 125.18 1do9 s TYR 30 Ca 0.03 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 1do9 s TYR 30 Cb -0.14 -1.00 0.06 0.00 -0.11 0.00 0.00 41.96 40.78 1do9 s TYR 30 CO 0.02 0.57 0.08 0.34 -1.11 0.00 0.00 175.55 175.46 1do9 s ASP 31 N -3.47 2.51 -0.19 2.29 -1.08 -0.10 -2.10 116.67 114.53 1do9 s ASP 31 Ca 0.28 -0.69 0.16 0.00 -0.52 0.00 0.00 52.55 51.78 1do9 s ASP 31 Cb -0.02 -0.32 0.45 0.00 -1.46 0.00 0.00 42.92 41.57 1do9 s ASP 31 CO 0.13 -0.35 1.34 0.18 0.52 0.00 0.00 175.17 176.99 1do9 n LEU 32 N 5.23 3.41 0.08 -1.34 4.77 -0.73 -4.70 117.00 123.71 1do9 n LEU 32 Ca -0.07 -3.22 -0.14 0.00 -0.03 0.00 0.00 56.01 52.54 1do9 n LEU 32 Cb 0.48 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1do9 n LEU 32 CO 0.10 0.83 0.57 0.74 -1.33 0.00 0.00 177.39 178.30 1do9 h THR 33 N 1.08 0.13 0.00 -5.08 2.02 -1.82 0.43 112.91 109.67 1do9 h THR 33 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1do9 h THR 33 Cb 1.33 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1do9 h THR 33 CO 0.17 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.23 1do9 n LYS 34 N -5.46 0.50 0.00 6.66 0.00 -1.26 -1.98 118.16 116.62 1do9 n LYS 34 Ca -0.07 0.04 0.09 0.00 0.00 0.00 0.00 58.31 58.38 1do9 n LYS 34 Cb 0.38 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.82 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 -1.15 0.00 -0.17 5.64 7.35 -0.20 -4.53 117.46 124.40 1do9 n PHE 35 Ca 0.14 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.81 1do9 n PHE 35 Cb 0.13 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.04 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 0.40 -0.01 -2.53 -2.13 3.38 0.42 -0.15 115.31 114.69 1do9 h LEU 36 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1do9 h LEU 36 Cb 0.48 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1do9 h LEU 36 CO 0.00 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 1do9 n GLU 37 N -5.13 3.29 -0.00 1.13 -0.58 -1.26 -4.10 120.64 114.00 1do9 n GLU 37 Ca 0.07 -2.09 0.00 0.00 -0.42 0.00 0.00 57.16 54.72 1do9 n GLU 37 Cb 0.27 -1.86 -0.01 0.00 -0.57 0.00 0.00 31.44 29.28 1do9 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1do9 n GLU 38 N 0.59 0.91 -0.70 3.49 2.13 -0.16 -5.05 120.64 121.86 1do9 n GLU 38 Ca 0.19 -0.01 -0.31 0.00 0.66 0.00 0.00 57.16 57.68 1do9 n GLU 38 Cb 0.78 -1.03 0.16 0.00 0.27 0.00 0.00 31.44 31.62 1do9 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1do9 n HIS 39 N -1.66 0.32 0.12 4.31 -0.00 -0.64 -4.91 115.22 112.75 1do9 n HIS 39 Ca -0.01 0.36 -0.03 0.00 0.46 0.00 0.00 57.72 58.50 1do9 n HIS 39 Cb 0.15 -1.95 0.11 0.00 -0.12 0.00 0.00 29.99 28.18 1do9 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1do9 h PRO 40 N -1.84 0.01 0.00 1.57 0.13 -1.95 -3.40 132.00 126.52 1do9 h PRO 40 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1do9 h PRO 40 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1do9 h PRO 40 CO 0.40 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1do9 n GLY 41 N 0.48 0.53 3.40 1.56 0.00 -1.26 -5.13 105.19 104.78 1do9 n GLY 41 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.57 0.08 -0.02 0.00 -1.26 -4.97 107.32 102.72 1do9 s GLY 42 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1do9 s GLY 42 CO 0.00 -1.35 0.00 -1.84 0.00 0.00 0.00 173.10 169.91 1do9 n GLU 43 N 1.08 0.00 -0.13 2.90 -0.00 -1.26 -4.47 120.64 118.76 1do9 n GLU 43 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 56.97 1do9 n GLU 43 Cb 0.53 0.00 0.21 0.00 -0.00 0.00 0.00 31.44 32.18 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 0.00 0.83 -0.91 3.44 4.57 -1.93 0.44 114.58 121.02 1do9 h GLU 44 Ca 0.00 -0.14 0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1do9 h GLU 44 Cb 0.00 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.39 1do9 h GLU 44 CO 0.00 0.71 0.59 -0.39 -1.18 0.00 0.00 179.01 178.74 1do9 h VAL 45 N 0.81 1.05 0.00 0.32 -1.51 -1.96 0.28 116.25 115.24 1do9 h VAL 45 Ca 0.19 -0.35 -0.04 0.00 -1.23 0.00 0.00 66.70 65.27 1do9 h VAL 45 Cb 0.22 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.31 1do9 h VAL 45 CO -0.01 0.19 -0.19 -0.07 -1.23 0.00 0.00 177.57 176.25 1do9 h LEU 46 N 1.02 0.00 -0.19 4.19 3.38 -1.24 -2.71 115.31 119.76 1do9 h LEU 46 Ca 0.40 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.18 1do9 h LEU 46 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1do9 h LEU 46 CO -0.16 0.19 -0.91 -0.09 0.09 0.00 0.00 178.44 177.57 1do9 h ARG 47 N 0.00 0.01 0.00 1.13 2.43 -0.37 -1.23 114.38 116.35 1do9 h ARG 47 Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1do9 h ARG 47 Cb 0.75 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1do9 h ARG 47 CO 0.02 0.91 -0.12 0.93 -1.51 0.00 0.00 179.97 180.21 1do9 h GLU 48 N 0.00 0.00 -0.01 0.20 5.08 -0.26 -2.78 114.58 116.81 1do9 h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1do9 h GLU 48 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1do9 h GLU 48 CO 0.12 0.12 0.00 1.04 -1.00 0.00 0.00 179.01 179.29 1do9 n GLN 49 N -3.23 1.88 -1.72 2.33 1.13 -1.18 -5.01 117.38 111.57 1do9 n GLN 49 Ca 0.01 -1.23 -0.42 0.00 -1.94 0.00 0.00 57.00 53.41 1do9 n GLN 49 Cb 0.40 -1.01 -0.01 0.00 0.11 0.00 0.00 30.24 29.73 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 -0.33 1.76 -2.09 -1.58 0.00 -0.47 -0.92 120.51 116.89 1do9 n ALA 50 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1do9 n ALA 50 Cb 0.18 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 1.10 0.32 2.38 0.00 0.00 0.05 -4.89 105.19 104.15 1do9 n GLY 51 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.73 2.29 3.58 -0.02 0.00 -0.09 -3.99 105.19 106.22 1do9 n GLY 52 Ca -0.20 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.50 6.57 0.00 1.61 -1.08 -1.26 -0.93 116.67 119.08 1do9 s ASP 53 Ca 0.19 0.31 0.22 0.00 -0.52 0.00 0.00 52.55 52.75 1do9 s ASP 53 Cb -0.01 -2.46 0.14 0.00 -1.46 0.00 0.00 42.92 39.12 1do9 s ASP 53 CO 0.14 -1.00 1.16 0.00 0.52 0.00 0.00 175.17 175.99 1do9 n ALA 54 N 7.10 2.66 -0.33 3.66 0.00 -0.94 -4.53 120.51 128.14 1do9 n ALA 54 Ca 0.07 -0.66 0.02 0.00 0.00 0.00 0.00 53.44 52.87 1do9 n ALA 54 Cb 0.48 -0.74 0.16 0.00 0.00 0.00 0.00 19.45 19.35 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 3.93 1.03 -0.88 0.00 2.02 -1.89 -0.22 112.91 116.90 1do9 h THR 55 Ca 0.00 -0.35 0.16 0.00 0.77 0.00 0.00 66.41 67.00 1do9 h THR 55 Cb 0.88 -0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 1do9 h THR 55 CO 0.00 0.18 0.46 -0.33 0.37 0.00 0.00 175.52 176.20 1do9 h GLU 56 N 1.01 0.60 0.46 6.66 5.08 -1.93 -1.14 114.58 125.32 1do9 h GLU 56 Ca 0.41 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1do9 h GLU 56 Cb 0.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1do9 h GLU 56 CO -0.19 0.40 -0.22 -0.91 -1.00 0.00 0.00 179.01 177.09 1do9 h ASN 57 N 0.62 -0.52 -1.02 1.42 2.35 -1.39 -1.67 115.58 115.37 1do9 h ASN 57 Ca 0.49 0.02 0.26 0.00 -0.55 0.00 0.00 56.30 56.52 1do9 h ASN 57 Cb 0.74 0.13 -0.08 0.00 0.05 0.00 0.00 38.32 39.16 1do9 h ASN 57 CO -0.38 -0.23 0.67 0.15 -1.65 0.00 0.00 177.43 175.99 1do9 h PHE 58 N -0.91 0.52 0.03 1.19 3.04 -0.90 0.60 116.94 120.51 1do9 h PHE 58 Ca -0.06 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1do9 h PHE 58 Cb 0.47 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1do9 h PHE 58 CO 0.04 0.07 -0.02 0.93 -2.02 0.00 0.00 178.31 177.31 1do9 h GLU 59 N 0.33 -0.04 -0.46 1.11 4.39 -1.30 -2.71 114.58 115.90 1do9 h GLU 59 Ca 0.55 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.33 1do9 h GLU 59 Cb 1.52 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.16 1do9 h GLU 59 CO -0.22 0.62 0.31 0.22 -1.16 0.00 0.00 179.01 178.79 1do9 h ASP 60 N -0.91 0.28 0.44 1.42 1.82 -0.16 -0.36 116.42 118.95 1do9 h ASP 60 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1do9 h ASP 60 Cb 0.69 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1do9 h ASP 60 CO 0.01 0.18 -0.21 0.58 -1.61 0.00 0.00 179.24 178.18 1do9 h VAL 61 N 0.31 0.54 -0.30 2.25 2.07 -1.06 -3.48 116.25 116.58 1do9 h VAL 61 Ca 0.21 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1do9 h VAL 61 Cb 0.42 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1do9 h VAL 61 CO -0.05 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1do9 n GLY 62 N -0.85 1.08 3.25 2.17 0.00 -0.14 -5.02 105.19 105.67 1do9 n GLY 62 Ca -0.11 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.45 -2.86 -1.13 1.61 8.25 -1.20 -4.98 115.22 113.46 1do9 n HIS 63 Ca 0.00 0.29 -0.29 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 63 Cb 0.22 -1.69 0.18 0.00 1.12 0.00 0.00 29.99 29.82 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1do9 s SER 64 N -1.17 2.55 0.17 0.41 1.04 -1.26 -4.89 113.70 110.56 1do9 s SER 64 Ca 0.55 1.23 -0.01 0.00 0.48 0.00 0.00 55.95 58.20 1do9 s SER 64 Cb -0.36 -1.90 0.03 0.00 0.10 0.00 0.00 66.02 63.89 1do9 s SER 64 CO 0.68 -3.18 1.41 0.74 0.98 0.00 0.00 173.24 173.87 1do9 h THR 65 N -1.93 1.41 -0.86 2.02 2.02 -1.98 -2.40 112.91 111.18 1do9 h THR 65 Ca -0.55 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 64.33 1do9 h THR 65 Cb 1.33 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.94 1do9 h THR 65 CO 0.57 0.68 0.51 -2.24 0.37 0.00 0.00 175.52 175.41 1do9 h ASP 66 N 0.22 1.04 -0.03 4.18 2.03 -1.99 -0.43 116.42 121.44 1do9 h ASP 66 Ca -0.04 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1do9 h ASP 66 Cb 1.38 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1do9 h ASP 66 CO 0.13 0.81 0.02 0.00 -1.03 0.00 0.00 179.24 179.17 1do9 h ALA 67 N 1.36 0.04 -0.35 4.15 0.00 -1.92 0.15 119.26 122.69 1do9 h ALA 67 Ca 0.31 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1do9 h ALA 67 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1do9 h ALA 67 CO -0.06 -0.46 0.40 0.00 0.00 0.00 0.00 179.25 179.13 1do9 h ARG 68 N 0.02 0.00 0.18 0.00 3.08 -0.75 -2.12 114.38 114.79 1do9 h ARG 68 Ca 0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.80 1do9 h ARG 68 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.09 1do9 h ARG 68 CO -0.00 0.00 -1.22 0.93 -1.07 0.00 0.00 179.97 178.61 1do9 h GLU 69 N 0.00 0.38 -0.04 0.04 5.08 0.58 -3.31 114.58 117.31 1do9 h GLU 69 Ca 0.17 -0.64 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1do9 h GLU 69 Cb 0.96 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1do9 h GLU 69 CO -0.00 1.31 0.02 -0.07 -1.00 0.00 0.00 179.01 179.27 1do9 h LEU 70 N -0.16 0.05 -1.94 1.33 3.38 -0.61 0.51 115.31 117.87 1do9 h LEU 70 Ca -0.23 -0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.01 1do9 h LEU 70 Cb 1.87 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 1do9 h LEU 70 CO 0.18 0.04 0.68 0.28 0.09 0.00 0.00 178.44 179.70 1do9 h SER 71 N 0.06 0.04 -0.14 -0.43 0.02 -1.55 -0.12 113.55 111.43 1do9 h SER 71 Ca 0.02 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1do9 h SER 71 Cb -0.00 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1do9 h SER 71 CO -0.00 0.01 0.04 0.50 -1.14 0.00 0.00 176.83 176.24 1do9 h LYS 72 N 0.04 0.29 -0.01 3.45 1.63 -1.04 -1.00 116.57 119.93 1do9 h LYS 72 Ca 0.46 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1do9 h LYS 72 Cb 1.77 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 1do9 h LYS 72 CO -0.03 0.28 -0.37 -2.37 -3.45 0.00 0.00 179.45 173.52 1do9 n THR 73 N -4.41 0.00 -0.07 1.00 5.66 -0.09 -4.25 114.28 112.13 1do9 n THR 73 Ca 0.00 -0.16 -0.03 0.00 -3.05 0.00 0.00 64.05 60.81 1do9 n THR 73 Cb 0.15 0.68 -0.15 0.00 -1.55 0.00 0.00 70.33 69.46 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 -1.63 1.09 3.01 -0.64 -4.89 117.46 113.87 1do9 n PHE 74 Ca 0.11 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 58.09 1do9 n PHE 74 Cb 0.38 -0.78 -0.05 0.00 -0.01 0.00 0.00 39.48 39.02 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1do9 n ILE 75 N -2.54 0.49 -0.59 4.37 3.06 -0.47 -0.93 119.36 122.75 1do9 n ILE 75 Ca -0.22 -0.19 0.07 0.00 -2.50 0.00 0.00 62.75 59.91 1do9 n ILE 75 Cb 0.93 -1.95 0.23 0.00 0.54 0.00 0.00 39.64 39.39 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 5.93 1.68 -2.02 9.51 -5.35 -0.26 -4.92 119.36 123.93 1do9 n ILE 76 Ca 0.27 -1.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 1do9 n ILE 76 Cb 0.31 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1do9 n GLY 77 N 0.21 -1.41 3.31 3.28 0.00 -1.07 -4.55 105.19 104.96 1do9 n GLY 77 Ca 0.18 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.93 1.21 0.45 1.61 2.02 -1.26 -1.73 118.70 119.07 1do9 s GLU 78 Ca 0.00 -1.46 -0.25 0.00 0.02 0.00 0.00 54.97 53.28 1do9 s GLU 78 Cb 0.00 -1.04 -0.08 0.00 0.10 0.00 0.00 34.13 33.11 1do9 s GLU 78 CO 0.00 0.18 1.44 -0.51 0.02 0.00 0.00 175.26 176.39 1do9 s LEU 79 N -2.99 4.11 0.68 1.80 1.02 -1.10 -2.23 118.68 119.96 1do9 s LEU 79 Ca 0.17 2.95 -0.17 0.00 0.02 0.00 0.00 54.13 57.10 1do9 s LEU 79 Cb -0.02 -3.94 -0.05 0.00 0.02 0.00 0.00 46.19 42.20 1do9 s LEU 79 CO 0.05 -1.20 0.53 1.41 0.02 0.00 0.00 176.35 177.15 1do9 n HIS 80 N -0.22 -0.76 0.04 0.29 8.25 -0.30 -4.83 115.22 117.69 1do9 n HIS 80 Ca 0.05 0.38 -0.16 0.00 -0.26 0.00 0.00 57.72 57.73 1do9 n HIS 80 Cb 0.42 -1.93 -0.06 0.00 1.12 0.00 0.00 29.99 29.53 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 -0.17 0.58 -0.89 -0.41 0.13 -1.91 -2.52 132.00 126.81 1do9 h PRO 81 Ca -0.46 -0.58 0.10 0.00 -0.87 0.00 0.00 66.00 64.19 1do9 h PRO 81 Cb 1.36 0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.58 1do9 h PRO 81 CO 0.44 1.20 0.58 0.22 -0.23 0.00 0.00 178.00 180.21 1do9 h ASP 82 N 0.35 0.79 -0.74 1.44 1.82 -2.01 -1.47 116.42 116.60 1do9 h ASP 82 Ca -0.09 0.02 -0.45 0.00 -0.39 0.00 0.00 57.03 56.12 1do9 h ASP 82 Cb 1.57 -0.14 -0.22 0.00 0.68 0.00 0.00 39.33 41.22 1do9 h ASP 82 CO 0.18 0.46 0.58 0.47 -1.61 0.00 0.00 179.24 179.32 1do9 n ASP 83 N -4.53 5.57 -0.04 2.28 8.00 -0.96 -4.07 116.55 122.79 1do9 n ASP 83 Ca 0.15 -3.33 -0.05 0.00 0.71 0.00 0.00 54.79 52.27 1do9 n ASP 83 Cb 0.32 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1do9 n ARG 84 N -0.48 1.19 -2.56 -1.24 3.00 -0.55 -4.62 116.66 111.41 1do9 n ARG 84 Ca 0.46 0.03 -0.06 0.00 -0.00 0.00 0.00 57.85 58.27 1do9 n ARG 84 Cb 0.95 -1.17 0.04 0.00 0.00 0.00 0.00 32.46 32.27 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1do9 n SER 85 N -2.57 2.46 0.00 6.15 2.88 -1.26 -4.88 113.62 116.40 1do9 n SER 85 Ca -0.14 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1do9 n SER 85 Cb 0.69 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.61 0.00 -0.14 -1.46 4.81 -1.26 -5.14 118.16 114.37 1do9 n LYS 86 Ca 0.17 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.63 1do9 n LYS 86 Cb 0.85 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.90 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1do9 n LEU 87 N -2.38 0.00 -2.55 3.14 4.77 -1.26 -5.03 117.00 113.69 1do9 n LEU 87 Ca 0.00 0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 1do9 n LEU 87 Cb 0.00 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1do9 n LEU 87 CO 0.00 -1.33 -0.60 -0.24 -1.33 0.00 0.00 177.39 173.90 1do9 n SER 88 N -3.34 -2.00 -3.69 -1.43 2.88 -1.26 -5.05 113.62 99.73 1do9 n SER 88 Ca 0.00 1.28 -0.15 0.00 -1.33 0.00 0.00 58.87 58.68 1do9 n SER 88 Cb 0.06 -5.02 -0.08 0.00 -0.75 0.00 0.00 64.21 58.42 1do9 n SER 88 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1do9 s LYS 89 N -0.89 0.77 -0.07 -1.46 2.20 -1.26 -5.07 119.74 113.96 1do9 s LYS 89 Ca -0.21 0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.24 1do9 s LYS 89 Cb 0.01 0.35 -0.13 0.00 -1.51 0.00 0.00 37.83 36.56 1do9 s LYS 89 CO 0.75 -0.21 0.67 -1.00 -0.36 0.00 0.00 175.35 175.19 1do9 h PRO 90 N 3.77 -0.20 -6.00 4.03 0.13 -2.08 -3.49 132.00 128.16 1do9 h PRO 90 Ca -0.29 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1do9 h PRO 90 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1do9 h PRO 90 CO 0.38 0.18 -0.99 -0.12 -0.23 0.00 0.00 178.00 177.21 1do9 n MET 91 N -4.90 -1.61 -1.62 0.86 1.56 -1.26 -4.79 117.12 105.37 1do9 n MET 91 Ca -0.06 1.54 -0.54 0.00 -0.27 0.00 0.00 57.70 58.36 1do9 n MET 91 Cb 0.23 -2.75 -0.07 0.00 2.15 0.00 0.00 33.22 32.79 1do9 n MET 91 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1do9 n GLU 92 N 0.70 1.02 -4.77 2.12 -0.58 -1.26 -4.95 120.64 112.92 1do9 n GLU 92 Ca -0.00 0.37 -0.25 0.00 -0.42 0.00 0.00 57.16 56.85 1do9 n GLU 92 Cb 0.41 -2.01 -0.16 0.00 -0.57 0.00 0.00 31.44 29.11 1do9 n GLU 92 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1do9 s THR 93 N 1.28 1.33 0.00 2.62 2.01 -1.26 -5.32 115.64 116.30 1do9 s THR 93 Ca 0.89 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1do9 s THR 93 Cb -1.03 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 70.33 1do9 s THR 93 CO 0.53 0.39 0.00 0.18 -0.69 0.00 0.00 174.62 175.03