#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 1.69 -3.84 -0.67 2.85 -1.26 -4.74 118.16 112.20 1do9 n LYS 2 Ca 0.00 -1.75 -0.30 0.00 -1.05 0.00 0.00 58.31 55.21 1do9 n LYS 2 Cb 0.00 -2.80 -0.14 0.00 -0.65 0.00 0.00 35.03 31.44 1do9 n LYS 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1do9 s ASP 3 N 4.51 4.10 0.00 -5.58 2.15 -1.26 -5.03 116.67 115.55 1do9 s ASP 3 Ca 0.52 -2.53 0.00 0.00 0.43 0.00 0.00 52.55 50.97 1do9 s ASP 3 Cb 0.13 -1.30 0.00 0.00 -0.30 0.00 0.00 42.92 41.45 1do9 s ASP 3 CO 0.07 -0.30 0.00 0.52 -0.17 0.00 0.00 175.17 175.29 1do9 n VAL 4 N 3.72 0.00 -3.22 1.11 0.31 -1.26 -5.08 118.33 113.90 1do9 n VAL 4 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.14 1do9 n VAL 4 Cb 0.36 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.23 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 1.44 -2.44 5.55 4.76 -1.26 -5.04 118.16 121.17 1do9 n LYS 5 Ca 0.00 -3.76 -0.38 0.00 -2.87 0.00 0.00 58.31 51.30 1do9 n LYS 5 Cb 0.00 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.50 1do9 n LYS 5 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1do9 s TYR 6 N -1.94 2.34 0.44 2.13 2.02 -1.24 -0.91 117.35 120.19 1do9 s TYR 6 Ca 0.38 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.45 1do9 s TYR 6 Cb 0.21 -4.54 -0.11 0.00 -0.40 0.00 0.00 41.96 37.12 1do9 s TYR 6 CO -0.08 -1.92 0.96 0.71 -1.57 0.00 0.00 175.55 173.65 1do9 s TYR 7 N 6.21 3.32 0.09 2.71 2.02 0.41 -4.75 117.35 127.35 1do9 s TYR 7 Ca 0.51 1.59 -0.02 0.00 -0.37 0.00 0.00 57.07 58.77 1do9 s TYR 7 Cb -0.02 -2.85 -0.05 0.00 -0.40 0.00 0.00 41.96 38.64 1do9 s TYR 7 CO -0.06 -0.16 0.28 0.95 -1.57 0.00 0.00 175.55 174.99 1do9 s THR 8 N -2.24 5.30 0.24 -0.71 -4.23 -1.26 -0.50 115.64 112.24 1do9 s THR 8 Ca 0.62 -0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1do9 s THR 8 Cb -0.09 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.36 1do9 s THR 8 CO 0.16 0.12 1.68 -0.07 -0.54 0.00 0.00 174.62 175.97 1do9 h LEU 9 N 3.05 -0.00 -0.96 4.79 -0.00 -1.98 0.33 115.31 120.55 1do9 h LEU 9 Ca -0.46 0.15 0.26 0.00 -0.00 0.00 0.00 57.88 57.83 1do9 h LEU 9 Cb 1.16 0.20 -0.13 0.00 -0.00 0.00 0.00 40.66 41.89 1do9 h LEU 9 CO 0.74 -0.05 0.49 -0.33 -0.00 0.00 0.00 178.44 179.29 1do9 h GLU 10 N 0.26 0.41 0.30 1.13 5.08 -1.98 0.11 114.58 119.89 1do9 h GLU 10 Ca 0.42 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1do9 h GLU 10 Cb 0.71 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1do9 h GLU 10 CO -0.52 0.27 -0.14 1.49 -1.00 0.00 0.00 179.01 179.11 1do9 h GLU 11 N 0.42 -0.39 -0.49 2.33 4.57 -0.75 -2.54 114.58 117.73 1do9 h GLU 11 Ca 0.63 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.93 1do9 h GLU 11 Cb 1.29 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.89 1do9 h GLU 11 CO -0.55 -0.05 0.05 0.82 -1.18 0.00 0.00 179.01 178.11 1do9 h ILE 12 N -0.86 0.67 0.00 2.32 5.03 -0.30 0.36 117.51 124.73 1do9 h ILE 12 Ca -0.04 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1do9 h ILE 12 Cb 0.52 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1do9 h ILE 12 CO 0.07 0.03 0.00 0.11 -0.68 0.00 0.00 178.15 177.68 1do9 h LYS 13 N 0.18 0.00 -0.91 2.37 1.79 -0.96 -0.21 116.57 118.83 1do9 h LYS 13 Ca 0.25 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.34 1do9 h LYS 13 Cb 0.36 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.78 1do9 h LYS 13 CO -0.36 0.00 0.48 1.17 -1.08 0.00 0.00 179.45 179.65 1do9 n LYS 14 N -2.71 2.78 -0.79 3.15 4.81 0.12 -4.08 118.16 121.44 1do9 n LYS 14 Ca -0.01 -2.88 0.05 0.00 -0.87 0.00 0.00 58.31 54.61 1do9 n LYS 14 Cb 0.15 -2.14 0.12 0.00 0.02 0.00 0.00 35.03 33.18 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1do9 n HIS 15 N -0.67 0.00 -3.78 5.64 8.25 -0.09 -4.90 115.22 119.68 1do9 n HIS 15 Ca 0.49 -0.99 -0.33 0.00 -0.26 0.00 0.00 57.72 56.63 1do9 n HIS 15 Cb 1.51 -0.19 -0.10 0.00 1.12 0.00 0.00 29.99 32.33 1do9 n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1do9 s ASN 16 N -2.61 5.18 0.09 0.41 2.47 -1.25 -1.91 114.94 117.33 1do9 s ASN 16 Ca 0.33 -3.35 0.02 0.00 0.42 0.00 0.00 52.86 50.27 1do9 s ASN 16 Cb 0.33 -1.78 -0.01 0.00 -1.45 0.00 0.00 41.25 38.34 1do9 s ASN 16 CO -0.08 -0.23 0.09 1.41 -3.72 0.00 0.00 177.10 174.57 1do9 n HIS 17 N 2.76 -0.28 0.65 0.43 8.25 -0.57 -5.02 115.22 121.43 1do9 n HIS 17 Ca 0.14 -0.76 -0.01 0.00 -0.26 0.00 0.00 57.72 56.83 1do9 n HIS 17 Cb 0.36 0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.62 1do9 n HIS 17 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1do9 n SER 18 N -2.55 2.26 -0.84 0.41 2.88 -1.26 -3.53 113.62 110.99 1do9 n SER 18 Ca 0.02 -2.20 -0.05 0.00 -1.33 0.00 0.00 58.87 55.31 1do9 n SER 18 Cb 0.17 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.04 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 19 N 0.14 0.00 -3.36 -1.46 3.00 -1.26 -5.10 118.16 110.13 1do9 n LYS 19 Ca 0.07 -0.67 0.02 0.00 -0.00 0.00 0.00 58.31 57.72 1do9 n LYS 19 Cb 0.51 0.34 -0.04 0.00 0.00 0.00 0.00 35.03 35.84 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1do9 s SER 20 N -0.67 -0.30 -0.36 3.14 0.01 -1.23 -5.07 113.70 109.21 1do9 s SER 20 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1do9 s SER 20 Cb 0.00 1.31 0.11 0.00 0.21 0.00 0.00 66.02 67.65 1do9 s SER 20 CO 0.00 -0.06 0.15 -0.89 0.41 0.00 0.00 173.24 172.85 1do9 s THR 21 N 2.03 1.06 0.42 1.44 2.01 -1.19 -1.51 115.64 119.89 1do9 s THR 21 Ca -0.02 -1.83 0.08 0.00 0.31 0.00 0.00 61.69 60.22 1do9 s THR 21 Cb -0.03 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.71 1do9 s THR 21 CO -0.16 -0.77 0.54 0.26 -0.69 0.00 0.00 174.62 173.81 1do9 s TRP 22 N 1.14 2.79 -0.04 4.92 0.52 -0.80 -0.34 118.94 127.13 1do9 s TRP 22 Ca 0.13 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.53 1do9 s TRP 22 Cb -0.20 -2.35 0.11 0.00 -1.15 0.00 0.00 33.47 29.88 1do9 s TRP 22 CO -0.14 -0.38 1.03 -0.48 0.02 0.00 0.00 176.95 177.00 1do9 s LEU 23 N -4.32 -0.24 -0.41 2.99 0.05 -1.14 -0.74 118.68 114.87 1do9 s LEU 23 Ca 0.54 -0.07 -0.04 0.00 0.05 0.00 0.00 54.13 54.61 1do9 s LEU 23 Cb -0.09 1.79 0.10 0.00 -2.05 0.00 0.00 46.19 45.94 1do9 s LEU 23 CO 0.32 -0.51 0.21 -0.63 -0.55 0.00 0.00 176.35 175.20 1do9 s ILE 24 N -2.86 3.47 -0.44 1.48 -1.09 -0.20 -1.81 121.20 119.75 1do9 s ILE 24 Ca 0.08 -1.92 -0.02 0.00 -2.23 0.00 0.00 60.65 56.56 1do9 s ILE 24 Cb -0.00 -3.32 0.12 0.00 -1.58 0.00 0.00 42.46 37.67 1do9 s ILE 24 CO -0.06 -0.65 0.24 -0.76 -1.23 0.00 0.00 174.94 172.48 1do9 s LEU 25 N 1.20 5.20 -0.18 2.97 1.43 -1.11 -3.07 118.68 125.13 1do9 s LEU 25 Ca 0.07 -2.21 -0.01 0.00 -1.03 0.00 0.00 54.13 50.95 1do9 s LEU 25 Cb -0.23 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1do9 s LEU 25 CO -0.03 -0.50 0.19 1.41 0.23 0.00 0.00 176.35 177.65 1do9 n HIS 26 N 4.35 -0.90 -3.56 0.29 8.25 -1.26 -4.01 115.22 118.38 1do9 n HIS 26 Ca 0.00 0.35 -0.18 0.00 -0.26 0.00 0.00 57.72 57.63 1do9 n HIS 26 Cb 0.41 -2.24 -0.06 0.00 1.12 0.00 0.00 29.99 29.21 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 -0.97 -0.73 -3.79 4.41 1.44 -1.26 -4.89 115.22 109.44 1do9 n HIS 27 Ca 0.01 0.36 -0.10 0.00 -2.01 0.00 0.00 57.72 55.98 1do9 n HIS 27 Cb 0.38 -1.62 -0.05 0.00 0.12 0.00 0.00 29.99 28.81 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 -5.54 1.16 -0.18 -1.40 1.02 -1.26 -4.68 119.74 108.86 1do9 s LYS 28 Ca 0.01 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1do9 s LYS 28 Cb -0.00 0.44 0.01 0.00 -0.52 0.00 0.00 37.83 37.76 1do9 s LYS 28 CO 0.58 -0.45 -0.17 0.08 -0.92 0.00 0.00 175.35 174.47 1do9 s VAL 29 N -3.88 2.34 0.44 3.17 1.01 -0.30 -2.74 120.40 120.44 1do9 s VAL 29 Ca 0.09 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1do9 s VAL 29 Cb 0.02 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1do9 s VAL 29 CO -0.06 0.52 0.24 -0.31 0.00 0.00 0.00 175.10 175.49 1do9 s TYR 30 N 1.27 2.41 -0.34 5.22 1.51 -0.75 -1.31 117.35 125.37 1do9 s TYR 30 Ca 0.04 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1do9 s TYR 30 Cb -0.13 -1.97 0.12 0.00 -0.11 0.00 0.00 41.96 39.86 1do9 s TYR 30 CO -0.10 0.02 0.16 0.34 -1.11 0.00 0.00 175.55 174.87 1do9 s ASP 31 N -4.00 3.56 -0.10 2.29 2.15 0.10 -2.87 116.67 117.78 1do9 s ASP 31 Ca 0.39 -1.87 0.11 0.00 0.43 0.00 0.00 52.55 51.60 1do9 s ASP 31 Cb 0.02 -0.64 0.49 0.00 -0.30 0.00 0.00 42.92 42.49 1do9 s ASP 31 CO 0.22 -0.37 1.32 0.18 -0.17 0.00 0.00 175.17 176.35 1do9 n LEU 32 N 4.50 3.58 0.10 -1.34 4.77 0.54 -4.34 117.00 124.81 1do9 n LEU 32 Ca 0.03 -1.81 -0.13 0.00 -0.03 0.00 0.00 56.01 54.06 1do9 n LEU 32 Cb 0.39 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1do9 n LEU 32 CO 0.13 0.54 0.75 0.00 -1.33 0.00 0.00 177.39 177.47 1do9 h THR 33 N 2.63 0.93 -0.02 -5.08 1.03 -1.90 0.34 112.91 110.84 1do9 h THR 33 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1do9 h THR 33 Cb 1.20 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.39 1do9 h THR 33 CO 0.22 0.07 0.00 1.17 -0.01 0.00 0.00 175.52 176.97 1do9 n LYS 34 N -5.11 1.14 0.00 0.00 0.00 -1.26 -2.75 118.16 110.18 1do9 n LYS 34 Ca -0.09 -0.20 0.04 0.00 0.00 0.00 0.00 58.31 58.06 1do9 n LYS 34 Cb 0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 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 -0.27 5.64 7.35 -0.85 -4.62 117.46 124.08 1do9 n PHE 35 Ca 0.17 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.91 1do9 n PHE 35 Cb 0.12 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.15 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 0.36 0.46 -3.84 -2.13 3.38 -0.15 0.49 115.31 113.88 1do9 h LEU 36 Ca 0.00 0.09 -0.49 0.00 0.09 0.00 0.00 57.88 57.57 1do9 h LEU 36 Cb 0.23 0.02 -0.28 0.00 0.09 0.00 0.00 40.66 40.72 1do9 h LEU 36 CO 0.00 0.21 0.62 -0.62 0.09 0.00 0.00 178.44 178.74 1do9 n GLU 37 N -4.89 2.18 0.00 1.13 1.02 -1.26 -4.15 120.64 114.66 1do9 n GLU 37 Ca 0.15 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 1do9 n GLU 37 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1do9 n GLU 38 N -0.98 3.08 -0.79 3.49 1.02 0.11 -5.07 120.64 121.50 1do9 n GLU 38 Ca 0.55 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.36 1do9 n GLU 38 Cb 1.50 -0.90 0.12 0.00 -0.02 0.00 0.00 31.44 32.14 1do9 n GLU 38 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1do9 n HIS 39 N -1.68 -1.19 0.04 -0.32 -0.00 -0.90 -4.91 115.22 106.27 1do9 n HIS 39 Ca 0.00 0.25 -0.11 0.00 0.46 0.00 0.00 57.72 58.33 1do9 n HIS 39 Cb 0.37 -1.81 0.02 0.00 -0.12 0.00 0.00 29.99 28.45 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 -1.58 0.46 0.00 1.57 0.13 -1.95 -3.41 132.00 127.23 1do9 h PRO 40 Ca -0.43 -0.37 -0.02 0.00 -0.87 0.00 0.00 66.00 64.31 1do9 h PRO 40 Cb 1.28 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1do9 h PRO 40 CO 0.35 1.00 -0.04 0.41 -0.23 0.00 0.00 178.00 179.50 1do9 n GLY 41 N 0.56 0.52 3.11 1.56 0.00 -1.26 -5.12 105.19 104.56 1do9 n GLY 41 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 0.96 0.00 -0.02 0.00 -1.26 -4.98 107.32 101.89 1do9 s GLY 42 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1do9 s GLY 42 CO 0.00 -0.18 0.00 -1.84 0.00 0.00 0.00 173.10 171.08 1do9 n GLU 43 N 3.46 0.23 0.09 2.90 0.28 -1.26 -4.47 120.64 121.87 1do9 n GLU 43 Ca -0.20 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.76 1do9 n GLU 43 Cb 0.52 -0.79 0.13 0.00 1.43 0.00 0.00 31.44 32.74 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1do9 h GLU 44 N 0.00 0.20 -0.11 3.44 4.11 -1.93 -1.81 114.58 118.47 1do9 h GLU 44 Ca 0.00 -0.14 0.03 0.00 0.07 0.00 0.00 59.36 59.33 1do9 h GLU 44 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1do9 h GLU 44 CO 0.00 0.74 0.10 -0.39 0.07 0.00 0.00 179.01 179.54 1do9 h VAL 45 N 0.14 0.68 0.00 -1.06 -1.51 -1.97 0.45 116.25 112.98 1do9 h VAL 45 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1do9 h VAL 45 Cb 1.11 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1do9 h VAL 45 CO 0.09 0.00 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.20 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.63 -2.77 115.31 118.49 1do9 h LEU 46 Ca 0.05 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1do9 h LEU 46 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1do9 h LEU 46 CO -0.00 0.02 -1.81 0.54 0.09 0.00 0.00 178.44 177.28 1do9 n ARG 47 N -2.35 0.65 0.23 1.13 1.74 0.05 -2.71 116.66 115.40 1do9 n ARG 47 Ca 0.05 -0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1do9 n ARG 47 Cb 0.45 -1.63 0.37 0.00 -1.02 0.00 0.00 32.46 30.63 1do9 n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1do9 h GLU 48 N 0.00 0.00 -0.05 5.56 5.08 0.05 -2.95 114.58 122.27 1do9 h GLU 48 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1do9 h GLU 48 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1do9 h GLU 48 CO 0.02 0.10 0.00 1.04 -1.00 0.00 0.00 179.01 179.17 1do9 n GLN 49 N -3.17 1.15 -1.54 2.33 1.13 -1.09 -5.01 117.38 111.19 1do9 n GLN 49 Ca 0.02 -1.15 -0.44 0.00 -1.94 0.00 0.00 57.00 53.49 1do9 n GLN 49 Cb 0.46 -1.06 -0.01 0.00 0.11 0.00 0.00 30.24 29.74 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 -0.03 -0.83 -3.31 -1.58 0.00 -1.10 -0.85 120.51 112.81 1do9 n ALA 50 Ca 0.02 0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 1do9 n ALA 50 Cb 0.18 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 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 1.45 -0.47 2.17 0.00 0.00 0.08 -4.86 105.19 103.56 1do9 n GLY 51 Ca 0.11 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.90 2.44 3.54 -0.02 0.00 -0.03 -4.60 105.19 105.62 1do9 n GLY 52 Ca 0.01 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1do9 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1do9 s ASP 53 N -2.39 6.40 0.00 1.61 -4.77 -1.26 -1.03 116.67 115.23 1do9 s ASP 53 Ca 0.18 -0.13 0.17 0.00 -3.30 0.00 0.00 52.55 49.47 1do9 s ASP 53 Cb -0.01 -2.38 0.15 0.00 -1.09 0.00 0.00 42.92 39.59 1do9 s ASP 53 CO 0.13 -0.91 1.05 0.00 0.70 0.00 0.00 175.17 176.15 1do9 n ALA 54 N 6.68 2.46 -0.27 2.11 0.00 -1.17 -4.60 120.51 125.73 1do9 n ALA 54 Ca 0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 1do9 n ALA 54 Cb 0.48 -0.58 0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 3.33 1.12 -0.98 0.00 2.02 -1.90 0.74 112.91 117.25 1do9 h THR 55 Ca 0.00 -0.32 0.21 0.00 0.77 0.00 0.00 66.41 67.06 1do9 h THR 55 Cb 0.71 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.13 1do9 h THR 55 CO 0.00 0.17 0.62 1.05 0.37 0.00 0.00 175.52 177.73 1do9 h GLU 56 N 0.94 0.57 0.35 6.66 4.11 -1.94 -1.37 114.58 123.90 1do9 h GLU 56 Ca 0.30 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.68 1do9 h GLU 56 Cb -0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1do9 h GLU 56 CO -0.10 0.38 -0.17 -0.91 0.07 0.00 0.00 179.01 178.28 1do9 h ASN 57 N 0.59 -0.40 -0.95 3.06 4.21 -1.27 -0.86 115.58 119.96 1do9 h ASN 57 Ca 0.55 -0.02 0.29 0.00 1.21 0.00 0.00 56.30 58.33 1do9 h ASN 57 Cb 1.09 0.10 -0.17 0.00 -1.12 0.00 0.00 38.32 38.23 1do9 h ASN 57 CO -0.30 0.05 0.20 0.15 -1.29 0.00 0.00 177.43 176.24 1do9 h PHE 58 N -1.11 0.26 0.15 1.19 3.57 -0.19 0.67 116.94 121.48 1do9 h PHE 58 Ca -0.05 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1do9 h PHE 58 Cb 0.39 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1do9 h PHE 58 CO 0.01 -0.37 -0.07 0.93 -2.23 0.00 0.00 178.31 176.58 1do9 h GLU 59 N 0.07 -0.20 -0.72 1.11 4.39 -1.35 -3.10 114.58 114.78 1do9 h GLU 59 Ca 0.63 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.50 1do9 h GLU 59 Cb 1.39 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.96 1do9 h GLU 59 CO -0.80 0.24 -0.09 -0.44 -1.16 0.00 0.00 179.01 176.76 1do9 h ASP 60 N -0.80 -0.51 -0.12 1.42 3.32 0.33 0.59 116.42 120.67 1do9 h ASP 60 Ca -0.02 0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1do9 h ASP 60 Cb 0.53 0.39 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 1do9 h ASP 60 CO 0.03 -0.21 -0.26 0.58 -1.72 0.00 0.00 179.24 177.67 1do9 h VAL 61 N 0.05 0.39 -0.02 -1.35 2.07 -1.02 -3.47 116.25 112.89 1do9 h VAL 61 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1do9 h VAL 61 Cb 0.61 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1do9 h VAL 61 CO -0.69 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.51 1do9 n GLY 62 N -1.38 1.26 3.54 2.17 0.00 0.20 -5.04 105.19 105.93 1do9 n GLY 62 Ca -0.03 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.33 0.11 -1.29 1.61 8.25 -1.21 -5.00 115.22 117.37 1do9 n HIS 63 Ca 0.00 0.47 -0.29 0.00 -0.26 0.00 0.00 57.72 57.65 1do9 n HIS 63 Cb 0.01 -2.06 0.16 0.00 1.12 0.00 0.00 29.99 29.22 1do9 n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1do9 s SER 64 N -1.11 2.99 0.09 0.41 0.15 -1.26 -4.94 113.70 110.03 1do9 s SER 64 Ca 0.70 1.14 -0.13 0.00 0.70 0.00 0.00 55.95 58.36 1do9 s SER 64 Cb -0.47 -1.79 -0.20 0.00 -1.71 0.00 0.00 66.02 61.86 1do9 s SER 64 CO 0.53 -2.90 1.23 0.74 1.20 0.00 0.00 173.24 174.04 1do9 h THR 65 N -1.73 1.29 -0.48 6.45 2.02 -2.00 -2.85 112.91 115.61 1do9 h THR 65 Ca -0.53 -2.19 0.14 0.00 0.77 0.00 0.00 66.41 64.60 1do9 h THR 65 Cb 1.33 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 1do9 h THR 65 CO 0.59 0.68 0.36 -0.78 0.37 0.00 0.00 175.52 176.74 1do9 h ASP 66 N 0.42 0.00 -0.03 4.18 1.82 -2.00 0.32 116.42 121.13 1do9 h ASP 66 Ca -0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1do9 h ASP 66 Cb 1.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1do9 h ASP 66 CO 0.19 0.00 -0.08 0.00 -1.61 0.00 0.00 179.24 177.74 1do9 h ALA 67 N 1.73 0.05 -0.64 -0.78 0.00 -1.89 -2.92 119.26 114.80 1do9 h ALA 67 Ca 0.23 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1do9 h ALA 67 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1do9 h ALA 67 CO -0.00 -0.09 0.44 -0.09 0.00 0.00 0.00 179.25 179.51 1do9 h ARG 68 N -0.46 0.22 -0.01 0.00 1.12 -0.76 -2.17 114.38 112.31 1do9 h ARG 68 Ca -0.00 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.85 1do9 h ARG 68 Cb 0.69 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1do9 h ARG 68 CO 0.02 0.15 0.00 0.93 -3.11 0.00 0.00 179.97 177.96 1do9 h GLU 69 N 0.23 0.02 -0.73 0.20 5.08 -1.09 -2.48 114.58 115.82 1do9 h GLU 69 Ca 0.31 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.76 1do9 h GLU 69 Cb 0.90 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1do9 h GLU 69 CO -0.06 0.25 0.48 -0.07 -1.00 0.00 0.00 179.01 178.60 1do9 h LEU 70 N -0.20 0.55 -1.94 1.33 3.38 -1.29 0.67 115.31 117.81 1do9 h LEU 70 Ca 0.00 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.23 1do9 h LEU 70 Cb 0.23 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1do9 h LEU 70 CO 0.00 0.33 0.66 0.77 0.09 0.00 0.00 178.44 180.29 1do9 h SER 71 N 0.62 0.00 0.03 -0.43 4.64 -0.93 -0.15 113.55 117.33 1do9 h SER 71 Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1do9 h SER 71 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1do9 h SER 71 CO -0.12 0.00 -0.01 0.50 -0.87 0.00 0.00 176.83 176.33 1do9 h LYS 72 N 0.00 -0.04 0.00 4.77 3.64 -0.81 -0.98 116.57 123.15 1do9 h LYS 72 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1do9 h LYS 72 Cb 1.70 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1do9 h LYS 72 CO -0.00 0.14 0.00 -2.37 -2.27 0.00 0.00 179.45 174.95 1do9 n THR 73 N -5.02 0.01 -0.09 1.00 5.66 -0.12 -3.26 114.28 112.46 1do9 n THR 73 Ca -0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.83 1do9 n THR 73 Cb 0.12 -0.63 -0.15 0.00 -1.55 0.00 0.00 70.33 68.13 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 -1.01 0.00 -1.71 1.09 3.01 -0.72 -4.91 117.46 113.20 1do9 n PHE 74 Ca 0.18 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.21 1do9 n PHE 74 Cb 0.09 -0.92 -0.02 0.00 -0.01 0.00 0.00 39.48 38.61 1do9 n PHE 74 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1do9 n ILE 75 N -2.69 0.76 -0.09 4.37 5.41 -0.45 -0.72 119.36 125.94 1do9 n ILE 75 Ca -0.30 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1do9 n ILE 75 Cb 1.11 -1.80 0.00 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 2.46 0.05 -0.60 1.39 -6.64 -0.43 -4.89 119.36 110.71 1do9 n ILE 76 Ca 0.11 -0.48 0.00 0.00 -1.77 0.00 0.00 62.75 60.61 1do9 n ILE 76 Cb 0.34 1.06 0.00 0.00 -1.44 0.00 0.00 39.64 39.61 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 -0.02 -0.03 3.18 3.28 0.00 -1.11 -4.89 105.19 105.60 1do9 n GLY 77 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 0.68 0.22 1.61 2.02 -0.09 -1.14 118.70 120.01 1do9 s GLU 78 Ca 0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1do9 s GLU 78 Cb 0.00 0.28 -0.05 0.00 0.10 0.00 0.00 34.13 34.47 1do9 s GLU 78 CO 0.00 -0.20 0.44 -0.48 0.02 0.00 0.00 175.26 175.04 1do9 s LEU 79 N -2.02 4.18 0.55 1.80 2.34 -1.26 -0.45 118.68 123.83 1do9 s LEU 79 Ca -0.06 0.49 -0.20 0.00 0.06 0.00 0.00 54.13 54.42 1do9 s LEU 79 Cb -0.02 -3.27 -0.07 0.00 -0.56 0.00 0.00 46.19 42.27 1do9 s LEU 79 CO -0.03 -0.08 0.95 1.41 -1.06 0.00 0.00 176.35 177.53 1do9 n HIS 80 N -0.71 0.82 0.93 3.48 8.25 0.35 -4.80 115.22 123.53 1do9 n HIS 80 Ca -0.04 0.46 0.10 0.00 -0.26 0.00 0.00 57.72 57.98 1do9 n HIS 80 Cb 0.54 -2.15 0.50 0.00 1.12 0.00 0.00 29.99 29.99 1do9 n HIS 80 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1do9 n PRO 81 N -0.62 0.26 -0.32 -0.41 -0.04 -1.26 -3.13 135.00 129.48 1do9 n PRO 81 Ca 0.12 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1do9 n PRO 81 Cb 0.45 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.70 1do9 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1do9 h ASP 82 N 0.00 0.59 -1.05 3.54 1.82 -1.99 0.51 116.42 119.85 1do9 h ASP 82 Ca 0.00 0.11 -0.55 0.00 -0.39 0.00 0.00 57.03 56.20 1do9 h ASP 82 Cb 0.20 0.02 -0.22 0.00 0.68 0.00 0.00 39.33 40.01 1do9 h ASP 82 CO 0.00 0.18 0.67 -0.67 -1.61 0.00 0.00 179.24 177.82 1do9 n ASP 83 N -4.87 7.05 -0.02 2.28 2.03 -1.18 -4.08 116.55 117.76 1do9 n ASP 83 Ca 0.21 -3.46 -0.02 0.00 0.52 0.00 0.00 54.79 52.04 1do9 n ASP 83 Cb 0.56 -1.08 -0.01 0.00 -0.72 0.00 0.00 41.12 39.87 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1do9 n ARG 84 N -0.08 0.08 -2.78 -0.67 3.00 0.17 -4.84 116.66 111.54 1do9 n ARG 84 Ca 0.49 0.02 -0.21 0.00 -0.00 0.00 0.00 57.85 58.15 1do9 n ARG 84 Cb 0.53 -1.04 -0.01 0.00 0.00 0.00 0.00 32.46 31.95 1do9 n ARG 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1do9 n SER 85 N -2.63 3.09 0.00 6.15 3.41 -1.25 -4.76 113.62 117.63 1do9 n SER 85 Ca -0.06 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 1do9 n SER 85 Cb 0.56 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1do9 n LYS 86 N -0.17 0.00 -1.61 4.33 4.76 -1.26 -5.09 118.16 119.12 1do9 n LYS 86 Ca 0.27 0.00 -0.52 0.00 -2.87 0.00 0.00 58.31 55.19 1do9 n LYS 86 Cb 0.63 -0.27 -0.06 0.00 -1.84 0.00 0.00 35.03 33.49 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1do9 n LEU 87 N -1.77 1.86 -2.72 -0.35 4.32 -1.26 -4.91 117.00 112.17 1do9 n LEU 87 Ca 0.00 1.11 0.01 0.00 -0.02 0.00 0.00 56.01 57.11 1do9 n LEU 87 Cb 0.00 -1.21 0.01 0.00 -1.62 0.00 0.00 43.42 40.60 1do9 n LEU 87 CO 0.00 -0.92 0.51 -0.55 -1.22 0.00 0.00 177.39 175.21 1do9 s SER 88 N 0.77 -0.20 -0.88 -1.43 0.15 -1.26 -5.01 113.70 105.84 1do9 s SER 88 Ca 0.85 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.34 1do9 s SER 88 Cb -0.93 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1do9 s SER 88 CO 0.47 -0.02 0.77 1.17 1.20 0.00 0.00 173.24 176.83 1do9 n LYS 89 N 3.50 -1.61 0.08 5.44 4.81 -1.26 -4.97 118.16 124.15 1do9 n LYS 89 Ca 0.06 1.15 -0.09 0.00 -0.87 0.00 0.00 58.31 58.56 1do9 n LYS 89 Cb 0.64 -5.37 -0.06 0.00 0.02 0.00 0.00 35.03 30.27 1do9 n LYS 89 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1do9 h PRO 90 N -0.31 -0.27 -6.75 1.64 0.13 -1.96 -3.44 132.00 121.04 1do9 h PRO 90 Ca -0.30 0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 1do9 h PRO 90 Cb 1.16 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1do9 h PRO 90 CO 0.37 0.04 0.40 -1.64 -0.23 0.00 0.00 178.00 176.93 1do9 s MET 91 N -3.06 4.77 -0.33 0.86 -1.94 -1.26 -4.95 119.30 113.38 1do9 s MET 91 Ca -0.10 1.60 0.01 0.00 -1.71 0.00 0.00 55.69 55.49 1do9 s MET 91 Cb 0.00 -3.26 0.30 0.00 2.01 0.00 0.00 34.83 33.88 1do9 s MET 91 CO 0.34 0.38 1.30 -1.91 -0.01 0.00 0.00 175.02 175.12 1do9 n GLU 92 N 1.52 0.16 -3.76 2.03 2.13 -1.26 -5.16 120.64 116.31 1do9 n GLU 92 Ca -0.01 -0.74 -0.11 0.00 0.66 0.00 0.00 57.16 56.95 1do9 n GLU 92 Cb 0.46 -0.24 -0.07 0.00 0.27 0.00 0.00 31.44 31.86 1do9 n GLU 92 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1do9 s THR 93 N 0.10 0.09 -0.67 6.31 2.01 -1.26 -5.28 115.64 116.92 1do9 s THR 93 Ca 0.24 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1do9 s THR 93 Cb 0.24 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1do9 s THR 93 CO -0.13 -0.39 0.17 -0.11 -0.69 0.00 0.00 174.62 173.47