#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 4.03 -2.36 0.11 0.00 -1.26 -4.98 118.16 113.71 1do9 n LYS 2 Ca 0.00 -3.64 -0.40 0.00 -0.00 0.00 0.00 58.31 54.27 1do9 n LYS 2 Cb 0.00 -2.79 -0.03 0.00 -0.00 0.00 0.00 35.03 32.21 1do9 n LYS 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1do9 s ASP 3 N 0.38 5.85 -0.58 -5.58 1.11 -1.26 -4.92 116.67 111.67 1do9 s ASP 3 Ca 0.43 -0.10 0.04 0.00 0.18 0.00 0.00 52.55 53.10 1do9 s ASP 3 Cb 0.12 -2.55 0.16 0.00 1.07 0.00 0.00 42.92 41.73 1do9 s ASP 3 CO -0.02 -2.01 0.41 -0.69 1.18 0.00 0.00 175.17 174.04 1do9 s VAL 4 N 6.94 1.89 -1.01 -1.27 1.01 -1.26 -4.15 120.40 122.55 1do9 s VAL 4 Ca 0.48 -3.54 -0.21 0.00 0.00 0.00 0.00 61.98 58.72 1do9 s VAL 4 Cb -0.10 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.10 1do9 s VAL 4 CO 0.18 -1.06 1.35 -0.54 0.00 0.00 0.00 175.10 175.03 1do9 s LYS 5 N -0.73 3.64 -0.82 2.72 1.02 -1.26 -4.67 119.74 119.62 1do9 s LYS 5 Ca 0.26 -1.46 -0.22 0.00 0.02 0.00 0.00 55.97 54.58 1do9 s LYS 5 Cb -0.05 -5.20 -0.19 0.00 -0.52 0.00 0.00 37.83 31.87 1do9 s LYS 5 CO -0.15 -2.04 2.37 0.66 -0.92 0.00 0.00 175.35 175.27 1do9 n TYR 6 N 7.90 0.81 -3.24 3.18 4.01 -1.25 -3.06 117.16 125.52 1do9 n TYR 6 Ca 0.31 0.05 -0.36 0.00 -0.16 0.00 0.00 57.90 57.73 1do9 n TYR 6 Cb 0.50 -2.00 -0.06 0.00 -0.31 0.00 0.00 39.34 37.47 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 9.65 3.67 0.48 -0.72 2.02 -0.34 -4.68 117.35 127.42 1do9 s TYR 7 Ca 1.09 1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 58.91 1do9 s TYR 7 Cb -0.45 -2.49 -0.06 0.00 -0.40 0.00 0.00 41.96 38.55 1do9 s TYR 7 CO 0.29 0.43 0.87 0.95 -1.57 0.00 0.00 175.55 176.52 1do9 s THR 8 N -1.40 4.73 0.16 -0.71 -4.23 -1.26 -1.26 115.64 111.66 1do9 s THR 8 Ca 0.38 0.75 -0.16 0.00 -1.18 0.00 0.00 61.69 61.47 1do9 s THR 8 Cb -0.17 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.95 1do9 s THR 8 CO 0.20 -0.71 1.71 -0.07 -0.54 0.00 0.00 174.62 175.21 1do9 h LEU 9 N 0.78 -0.12 -1.77 4.79 -0.00 -1.97 0.15 115.31 117.17 1do9 h LEU 9 Ca -0.47 0.08 0.15 0.00 -0.00 0.00 0.00 57.88 57.64 1do9 h LEU 9 Cb 1.19 0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.95 1do9 h LEU 9 CO 0.63 -0.02 0.45 -0.33 -0.00 0.00 0.00 178.44 179.16 1do9 h GLU 10 N 0.12 0.23 0.06 1.13 5.08 -1.97 -0.51 114.58 118.72 1do9 h GLU 10 Ca 0.18 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1do9 h GLU 10 Cb 0.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1do9 h GLU 10 CO -0.28 0.15 -0.03 1.49 -1.00 0.00 0.00 179.01 179.34 1do9 h GLU 11 N 0.23 -0.07 -0.62 2.33 4.57 -1.12 -2.67 114.58 117.23 1do9 h GLU 11 Ca 0.31 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.55 1do9 h GLU 11 Cb 0.91 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1do9 h GLU 11 CO -0.06 0.32 0.41 0.82 -1.18 0.00 0.00 179.01 179.31 1do9 h ILE 12 N -0.48 1.05 0.00 2.32 5.03 -0.25 0.84 117.51 126.02 1do9 h ILE 12 Ca -0.01 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1do9 h ILE 12 Cb 0.42 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1do9 h ILE 12 CO 0.01 0.12 0.00 0.29 -0.68 0.00 0.00 178.15 177.90 1do9 n LYS 13 N -4.47 0.96 0.00 2.37 5.02 -0.49 -2.49 118.16 119.05 1do9 n LYS 13 Ca 0.08 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 1do9 n LYS 13 Cb 0.18 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1do9 n LYS 14 N -0.77 0.07 -3.70 1.97 4.01 0.29 -4.78 118.16 115.24 1do9 n LYS 14 Ca 0.13 -0.05 -0.30 0.00 -0.51 0.00 0.00 58.31 57.58 1do9 n LYS 14 Cb 0.06 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 32.93 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 -2.97 1.43 0.00 2.13 0.09 -1.04 -4.92 115.29 110.02 1do9 s HIS 15 Ca 0.10 -1.54 0.04 0.00 -0.00 0.00 0.00 55.06 53.66 1do9 s HIS 15 Cb 0.17 -1.54 0.07 0.00 -0.00 0.00 0.00 32.58 31.28 1do9 s HIS 15 CO 0.79 -0.85 1.02 0.27 -0.00 0.00 0.00 174.74 175.96 1do9 n ASN 16 N 4.93 -0.64 -4.74 1.40 0.23 -0.79 -3.14 115.26 112.50 1do9 n ASN 16 Ca -0.03 -1.98 -0.30 0.00 -0.53 0.00 0.00 54.58 51.74 1do9 n ASN 16 Cb 0.42 0.19 -0.07 0.00 -2.08 0.00 0.00 39.78 38.24 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 0.00 2.08 -0.88 -2.53 0.09 -1.24 -4.84 115.29 107.96 1do9 s HIS 17 Ca 0.06 -0.83 -0.12 0.00 -0.00 0.00 0.00 55.06 54.17 1do9 s HIS 17 Cb 0.07 -1.73 -0.09 0.00 -0.00 0.00 0.00 32.58 30.82 1do9 s HIS 17 CO -0.03 0.19 2.05 0.43 -0.00 0.00 0.00 174.74 177.38 1do9 n SER 18 N -1.26 4.03 0.00 1.40 7.64 -1.26 -1.48 113.62 122.69 1do9 n SER 18 Ca -0.11 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1do9 n SER 18 Cb 0.66 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 5.30 0.00 -2.96 1.43 4.81 -1.26 -5.01 118.16 120.46 1do9 n LYS 19 Ca 0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.77 1do9 n LYS 19 Cb 0.24 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.32 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1do9 n SER 20 N 0.00 -0.70 -4.58 3.14 3.41 -0.55 -4.92 113.62 109.42 1do9 n SER 20 Ca 0.00 -3.33 -0.23 0.00 -0.26 0.00 0.00 58.87 55.06 1do9 n SER 20 Cb 0.00 0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.13 3.33 0.83 6.66 2.01 -1.04 -1.89 115.64 124.40 1do9 s THR 21 Ca 0.31 -0.52 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 1do9 s THR 21 Cb 0.32 -4.23 0.13 0.00 0.01 0.00 0.00 72.50 68.73 1do9 s THR 21 CO -0.06 -0.61 1.16 0.26 -0.69 0.00 0.00 174.62 174.68 1do9 s TRP 22 N 13.28 2.14 0.01 4.92 0.52 -1.19 -0.94 118.94 137.68 1do9 s TRP 22 Ca 0.74 0.30 -0.30 0.00 0.02 0.00 0.00 56.10 56.87 1do9 s TRP 22 Cb -0.03 -3.58 0.11 0.00 -1.15 0.00 0.00 33.47 28.82 1do9 s TRP 22 CO 0.13 -2.02 1.22 -0.48 0.02 0.00 0.00 176.95 175.82 1do9 s LEU 23 N -5.54 -0.09 -0.31 2.99 0.05 -1.11 -0.89 118.68 113.78 1do9 s LEU 23 Ca 0.67 -0.18 -0.03 0.00 0.05 0.00 0.00 54.13 54.65 1do9 s LEU 23 Cb -0.07 1.53 0.05 0.00 -2.05 0.00 0.00 46.19 45.65 1do9 s LEU 23 CO 0.49 -0.41 0.03 -0.63 -0.55 0.00 0.00 176.35 175.28 1do9 s ILE 24 N -2.59 3.21 -0.52 1.48 1.09 -0.33 -1.68 121.20 121.86 1do9 s ILE 24 Ca 0.13 -1.33 -0.04 0.00 -1.10 0.00 0.00 60.65 58.32 1do9 s ILE 24 Cb 0.03 -2.84 0.14 0.00 -1.06 0.00 0.00 42.46 38.73 1do9 s ILE 24 CO -0.03 -0.14 0.33 -0.76 -0.10 0.00 0.00 174.94 174.25 1do9 s LEU 25 N 1.29 5.32 -0.22 2.97 1.43 -1.17 -2.56 118.68 125.74 1do9 s LEU 25 Ca -0.04 -2.40 -0.07 0.00 -1.03 0.00 0.00 54.13 50.59 1do9 s LEU 25 Cb -0.20 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1do9 s LEU 25 CO -0.00 -0.48 0.29 1.41 0.23 0.00 0.00 176.35 177.80 1do9 n HIS 26 N 4.12 -1.64 -3.26 0.29 8.25 -1.26 -4.07 115.22 117.66 1do9 n HIS 26 Ca 0.02 0.66 -0.18 0.00 -0.26 0.00 0.00 57.72 57.96 1do9 n HIS 26 Cb 0.40 -2.74 -0.05 0.00 1.12 0.00 0.00 29.99 28.72 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 -0.49 -0.61 -3.91 4.41 1.44 -1.26 -4.88 115.22 109.91 1do9 n HIS 27 Ca 0.05 0.32 -0.09 0.00 -2.01 0.00 0.00 57.72 55.99 1do9 n HIS 27 Cb 0.25 -1.21 -0.07 0.00 0.12 0.00 0.00 29.99 29.07 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 -4.77 1.08 -0.14 -1.40 1.02 -1.26 -4.41 119.74 109.86 1do9 s LYS 28 Ca 0.17 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 55.09 1do9 s LYS 28 Cb -0.10 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1do9 s LYS 28 CO 0.51 -0.39 -0.19 0.08 -0.92 0.00 0.00 175.35 174.44 1do9 s VAL 29 N -3.93 2.37 0.30 3.17 1.01 -0.54 -3.05 120.40 119.73 1do9 s VAL 29 Ca 0.13 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.34 1do9 s VAL 29 Cb 0.03 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1do9 s VAL 29 CO -0.03 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.20 1do9 s TYR 30 N 0.77 2.46 -0.20 5.22 1.51 -0.68 -1.00 117.35 125.43 1do9 s TYR 30 Ca -0.07 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1do9 s TYR 30 Cb -0.16 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 1do9 s TYR 30 CO -0.00 0.62 -0.02 0.34 -1.11 0.00 0.00 175.55 175.38 1do9 s ASP 31 N -3.61 3.22 -0.01 2.29 -1.08 -0.32 -2.77 116.67 114.39 1do9 s ASP 31 Ca 0.32 -0.91 0.17 0.00 -0.52 0.00 0.00 52.55 51.61 1do9 s ASP 31 Cb -0.03 -0.87 0.49 0.00 -1.46 0.00 0.00 42.92 41.05 1do9 s ASP 31 CO 0.17 -0.25 1.41 0.18 0.52 0.00 0.00 175.17 177.20 1do9 n LEU 32 N 4.88 3.51 -0.13 -1.34 4.77 -0.12 -4.55 117.00 124.02 1do9 n LEU 32 Ca -0.11 -2.03 -0.05 0.00 -0.03 0.00 0.00 56.01 53.79 1do9 n LEU 32 Cb 0.46 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1do9 n LEU 32 CO 0.15 0.86 0.96 0.00 -1.33 0.00 0.00 177.39 178.03 1do9 h THR 33 N 3.20 0.88 -0.00 -5.08 1.03 -1.89 0.27 112.91 111.32 1do9 h THR 33 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1do9 h THR 33 Cb 0.90 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1do9 h THR 33 CO 0.01 0.06 -0.00 1.17 -0.01 0.00 0.00 175.52 176.75 1do9 n LYS 34 N -5.00 0.97 0.00 0.00 0.00 -1.26 -2.95 118.16 109.92 1do9 n LYS 34 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 58.31 58.34 1do9 n LYS 34 Cb 0.16 -1.50 -0.02 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 -0.98 0.00 -0.11 5.64 7.35 -0.36 -4.64 117.46 124.36 1do9 n PHE 35 Ca 0.23 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.87 1do9 n PHE 35 Cb 0.13 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.97 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 0.50 -0.52 -2.30 -2.13 3.38 -0.42 -0.37 115.31 113.46 1do9 h LEU 36 Ca 0.00 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1do9 h LEU 36 Cb 0.23 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1do9 h LEU 36 CO 0.00 -0.18 0.07 -0.62 0.09 0.00 0.00 178.44 177.80 1do9 n GLU 37 N -5.34 2.40 0.00 1.13 4.71 -1.26 -3.97 120.64 118.30 1do9 n GLU 37 Ca 0.02 -1.35 0.00 0.00 -0.01 0.00 0.00 57.16 55.82 1do9 n GLU 37 Cb 0.25 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1do9 n GLU 38 N 0.15 2.00 -0.69 3.49 1.02 -0.22 -5.07 120.64 121.31 1do9 n GLU 38 Ca 0.16 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.99 1do9 n GLU 38 Cb 0.75 -0.86 0.17 0.00 -0.02 0.00 0.00 31.44 31.48 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 -1.49 1.61 0.24 -0.32 2.46 -0.75 -4.92 115.29 112.12 1do9 s HIS 39 Ca 0.00 1.80 0.09 0.00 0.47 0.00 0.00 55.06 57.42 1do9 s HIS 39 Cb 0.00 -3.35 0.24 0.00 -0.13 0.00 0.00 32.58 29.34 1do9 s HIS 39 CO 0.00 -2.82 1.54 -1.00 -2.47 0.00 0.00 174.74 169.99 1do9 h PRO 40 N -1.88 0.03 0.00 2.88 0.13 -1.94 -3.40 132.00 127.83 1do9 h PRO 40 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1do9 h PRO 40 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1do9 h PRO 40 CO 0.41 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 1do9 n GLY 41 N 0.45 0.78 3.23 1.56 0.00 -1.26 -5.11 105.19 104.84 1do9 n GLY 41 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 1.40 0.00 -0.02 0.00 -1.26 -4.93 107.32 102.50 1do9 s GLY 42 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1do9 s GLY 42 CO 0.00 -0.13 0.00 -1.84 0.00 0.00 0.00 173.10 171.13 1do9 n GLU 43 N 3.84 0.00 0.04 2.90 -0.00 -1.26 -4.46 120.64 121.70 1do9 n GLU 43 Ca -0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 56.91 1do9 n GLU 43 Cb 0.52 -0.58 0.14 0.00 -0.00 0.00 0.00 31.44 31.52 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 0.40 -0.84 3.44 4.57 -1.92 -0.47 114.58 119.77 1do9 h GLU 44 Ca 0.00 -0.21 0.07 0.00 -1.18 0.00 0.00 59.36 58.04 1do9 h GLU 44 Cb 0.96 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 1do9 h GLU 44 CO 0.00 0.77 0.55 -0.39 -1.18 0.00 0.00 179.01 178.76 1do9 h VAL 45 N 0.33 1.02 0.00 0.32 -1.51 -1.95 0.25 116.25 114.71 1do9 h VAL 45 Ca 0.02 -0.31 -0.06 0.00 -1.23 0.00 0.00 66.70 65.12 1do9 h VAL 45 Cb 0.92 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 1do9 h VAL 45 CO 0.08 0.16 -0.30 -0.07 -1.23 0.00 0.00 177.57 176.21 1do9 h LEU 46 N 0.90 0.00 -0.08 4.19 3.38 -1.37 -2.27 115.31 120.05 1do9 h LEU 46 Ca 0.37 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.13 1do9 h LEU 46 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1do9 h LEU 46 CO -0.14 0.30 -0.98 -0.09 0.09 0.00 0.00 178.44 177.62 1do9 h ARG 47 N 0.00 0.04 0.00 1.13 2.43 -0.74 -2.36 114.38 114.88 1do9 h ARG 47 Ca -0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1do9 h ARG 47 Cb 0.63 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1do9 h ARG 47 CO 0.04 0.98 -0.04 0.93 -1.51 0.00 0.00 179.97 180.37 1do9 h GLU 48 N 0.01 0.00 -0.05 0.20 5.08 -0.02 -2.18 114.58 117.62 1do9 h GLU 48 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1do9 h GLU 48 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1do9 h GLU 48 CO 0.13 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.23 1do9 n GLN 49 N -3.17 1.85 -1.77 2.33 1.13 -1.15 -5.03 117.38 111.57 1do9 n GLN 49 Ca 0.00 -1.31 -0.40 0.00 -1.94 0.00 0.00 57.00 53.35 1do9 n GLN 49 Cb 0.30 -1.05 0.02 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.16 2.14 -1.67 -1.58 0.00 -0.82 -1.24 120.51 117.18 1do9 n ALA 50 Ca 0.02 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.52 1do9 n ALA 50 Cb 0.22 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.18 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 0.54 1.70 3.45 0.00 0.00 -0.07 -4.82 105.19 106.00 1do9 n GLY 51 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.66 1.31 -0.79 -0.02 0.00 -0.37 -4.17 107.32 100.62 1do9 s GLY 52 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 44.72 43.03 1do9 s GLY 52 CO 0.00 -1.01 1.40 0.51 0.00 0.00 0.00 173.10 174.00 1do9 s ASP 53 N -3.18 6.09 0.00 1.64 -4.77 -1.26 -1.19 116.67 114.00 1do9 s ASP 53 Ca 0.31 -0.56 0.28 0.00 -3.30 0.00 0.00 52.55 49.27 1do9 s ASP 53 Cb 0.01 -2.56 1.00 0.00 -1.09 0.00 0.00 42.92 40.28 1do9 s ASP 53 CO 0.17 -1.87 1.72 0.00 0.70 0.00 0.00 175.17 175.88 1do9 n ALA 54 N 9.84 2.78 -0.32 2.11 0.00 -1.06 -4.34 120.51 129.52 1do9 n ALA 54 Ca 0.12 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1do9 n ALA 54 Cb 0.50 -1.19 0.32 0.00 0.00 0.00 0.00 19.45 19.08 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 1.63 0.83 -0.53 0.00 2.02 -1.87 0.09 112.91 115.08 1do9 h THR 55 Ca 0.00 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.94 1do9 h THR 55 Cb 0.46 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1do9 h THR 55 CO 0.00 0.15 0.29 -0.33 0.37 0.00 0.00 175.52 176.00 1do9 h GLU 56 N 0.81 0.56 0.13 6.66 5.08 -1.92 -1.32 114.58 124.58 1do9 h GLU 56 Ca 0.50 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1do9 h GLU 56 Cb 0.70 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1do9 h GLU 56 CO -0.26 0.37 -0.06 -0.97 -1.00 0.00 0.00 179.01 177.08 1do9 h ASN 57 N 0.57 -0.15 -0.98 1.42 -0.73 -1.31 0.78 115.58 115.19 1do9 h ASN 57 Ca 0.22 -0.17 0.13 0.00 1.87 0.00 0.00 56.30 58.36 1do9 h ASN 57 Cb 0.09 0.04 -0.09 0.00 0.27 0.00 0.00 38.32 38.63 1do9 h ASN 57 CO -0.13 0.08 0.60 0.15 -0.37 0.00 0.00 177.43 177.76 1do9 h PHE 58 N -0.38 1.09 -0.09 0.67 3.04 -1.24 -1.63 116.94 118.39 1do9 h PHE 58 Ca -0.02 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.75 1do9 h PHE 58 Cb 0.31 -0.34 0.01 0.00 2.56 0.00 0.00 35.95 38.48 1do9 h PHE 58 CO -0.01 0.40 -0.82 0.93 -2.02 0.00 0.00 178.31 176.80 1do9 h GLU 59 N 0.93 0.61 -0.08 1.11 4.39 -1.05 -2.56 114.58 117.92 1do9 h GLU 59 Ca 0.50 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1do9 h GLU 59 Cb 0.54 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1do9 h GLU 59 CO -0.29 1.15 0.04 -0.44 -1.16 0.00 0.00 179.01 178.32 1do9 h ASP 60 N 0.40 0.10 0.86 1.42 5.19 0.06 -1.70 116.42 122.76 1do9 h ASP 60 Ca -0.06 -0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.16 1do9 h ASP 60 Cb 1.43 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1do9 h ASP 60 CO 0.16 0.16 -0.50 1.62 -3.12 0.00 0.00 179.24 177.55 1do9 h VAL 61 N 0.04 1.10 -3.39 -1.35 3.04 -1.48 -3.48 116.25 110.73 1do9 h VAL 61 Ca 0.03 -1.90 -0.08 0.00 -1.01 0.00 0.00 66.70 63.74 1do9 h VAL 61 Cb 0.08 2.11 0.05 0.00 -2.01 0.00 0.00 31.29 31.52 1do9 h VAL 61 CO -0.00 0.49 -0.23 0.61 -1.01 0.00 0.00 177.57 177.43 1do9 n GLY 62 N 0.43 0.29 3.37 3.17 0.00 -0.64 -4.94 105.19 106.87 1do9 n GLY 62 Ca -0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 -1.73 -1.48 1.61 8.25 -1.15 -5.00 115.22 113.79 1do9 n HIS 63 Ca -0.04 0.27 -0.29 0.00 -0.26 0.00 0.00 57.72 57.39 1do9 n HIS 63 Cb 0.54 -1.79 0.14 0.00 1.12 0.00 0.00 29.99 30.00 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 -1.56 3.36 0.18 0.41 0.01 -1.26 -4.88 113.70 109.95 1do9 s SER 64 Ca 0.59 0.99 -0.08 0.00 1.31 0.00 0.00 55.95 58.76 1do9 s SER 64 Cb -0.29 -1.57 0.07 0.00 0.21 0.00 0.00 66.02 64.44 1do9 s SER 64 CO 0.65 -2.65 1.56 0.74 0.41 0.00 0.00 173.24 173.95 1do9 h THR 65 N -1.56 1.27 -0.27 1.44 2.02 -1.98 -2.11 112.91 111.72 1do9 h THR 65 Ca -0.51 -1.43 0.05 0.00 0.77 0.00 0.00 66.41 65.29 1do9 h THR 65 Cb 1.33 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1do9 h THR 65 CO 0.61 0.48 0.18 -0.78 0.37 0.00 0.00 175.52 176.39 1do9 h ASP 66 N 0.75 0.13 -0.07 4.18 3.58 -2.00 0.54 116.42 123.53 1do9 h ASP 66 Ca 0.09 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 1do9 h ASP 66 Cb 0.83 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.86 1do9 h ASP 66 CO 0.07 0.09 -0.51 0.00 -2.88 0.00 0.00 179.24 176.01 1do9 h ALA 67 N 1.86 0.16 -0.09 -0.78 0.00 -1.85 -2.87 119.26 115.68 1do9 h ALA 67 Ca 0.12 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1do9 h ALA 67 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1do9 h ALA 67 CO -0.02 0.35 0.21 -0.09 0.00 0.00 0.00 179.25 179.70 1do9 h ARG 68 N 0.03 0.00 0.00 0.00 2.43 -0.27 -2.55 114.38 114.01 1do9 h ARG 68 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1do9 h ARG 68 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1do9 h ARG 68 CO 0.10 0.00 -0.13 0.93 -1.51 0.00 0.00 179.97 179.36 1do9 h GLU 69 N 0.00 0.00 -0.04 0.20 5.08 -1.05 -3.34 114.58 115.44 1do9 h GLU 69 Ca 0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1do9 h GLU 69 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1do9 h GLU 69 CO -0.00 0.88 0.03 -0.07 -1.00 0.00 0.00 179.01 178.85 1do9 h LEU 70 N -1.00 0.00 -1.47 1.33 -0.00 -1.29 0.96 115.31 113.84 1do9 h LEU 70 Ca -0.03 0.00 0.29 0.00 -0.00 0.00 0.00 57.88 58.14 1do9 h LEU 70 Cb 0.91 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.48 1do9 h LEU 70 CO -0.02 0.00 0.71 0.28 -0.00 0.00 0.00 178.44 179.41 1do9 h SER 71 N 0.00 0.36 0.39 -0.43 0.02 -1.58 0.35 113.55 112.65 1do9 h SER 71 Ca 0.02 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1do9 h SER 71 Cb 0.08 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1do9 h SER 71 CO -0.00 0.04 -0.60 0.50 -1.14 0.00 0.00 176.83 175.64 1do9 h LYS 72 N 0.30 0.21 -0.01 3.45 3.64 -0.95 -2.12 116.57 121.10 1do9 h LYS 72 Ca 0.61 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1do9 h LYS 72 Cb 1.73 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1do9 h LYS 72 CO -0.26 0.74 -0.10 -2.37 -2.27 0.00 0.00 179.45 175.19 1do9 n THR 73 N -3.87 0.00 -0.04 1.00 5.66 0.02 -4.04 114.28 113.01 1do9 n THR 73 Ca -0.02 -0.13 0.01 0.00 -3.05 0.00 0.00 64.05 60.86 1do9 n THR 73 Cb 0.61 0.16 -0.13 0.00 -1.55 0.00 0.00 70.33 69.42 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 -0.54 0.00 -1.59 1.09 3.72 -0.67 -4.89 117.46 114.57 1do9 n PHE 74 Ca 0.16 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.12 1do9 n PHE 74 Cb 0.30 -0.58 -0.04 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.33 0.41 -0.32 4.37 3.06 -0.83 -1.17 119.36 122.55 1do9 n ILE 75 Ca -0.14 -0.36 0.07 0.00 -2.50 0.00 0.00 62.75 59.83 1do9 n ILE 75 Cb 0.71 -2.36 0.21 0.00 0.54 0.00 0.00 39.64 38.75 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 7.14 1.17 -1.96 9.51 -6.64 -0.17 -4.95 119.36 123.46 1do9 n ILE 76 Ca 0.29 -1.09 0.00 0.00 -1.77 0.00 0.00 62.75 60.19 1do9 n ILE 76 Cb 0.40 0.41 0.00 0.00 -1.44 0.00 0.00 39.64 39.01 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 0.70 0.13 1.28 3.28 0.00 -1.13 -4.46 105.19 104.99 1do9 n GLY 77 Ca 0.16 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1do9 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1do9 n GLU 78 N 0.00 0.63 -4.43 1.61 1.02 -1.17 -1.47 120.64 116.83 1do9 n GLU 78 Ca 0.00 -1.32 -0.27 0.00 -0.02 0.00 0.00 57.16 55.56 1do9 n GLU 78 Cb 0.00 0.81 -0.10 0.00 -0.02 0.00 0.00 31.44 32.13 1do9 n GLU 78 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1do9 s LEU 79 N 0.00 2.97 -0.31 -4.62 2.34 -1.26 -1.20 118.68 116.60 1do9 s LEU 79 Ca 0.10 -1.25 -0.28 0.00 0.06 0.00 0.00 54.13 52.76 1do9 s LEU 79 Cb 0.00 -1.12 -0.06 0.00 -0.56 0.00 0.00 46.19 44.46 1do9 s LEU 79 CO 0.07 -0.47 2.28 1.41 -1.06 0.00 0.00 176.35 178.57 1do9 n HIS 80 N -1.07 1.78 0.55 3.48 8.25 -0.39 -4.68 115.22 123.15 1do9 n HIS 80 Ca -0.03 -0.03 0.13 0.00 -0.26 0.00 0.00 57.72 57.52 1do9 n HIS 80 Cb 0.66 -2.69 0.44 0.00 1.12 0.00 0.00 29.99 29.52 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 8.78 0.24 0.14 -0.41 -0.04 -1.26 -2.49 135.00 139.95 1do9 n PRO 81 Ca 0.33 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 64.13 1do9 n PRO 81 Cb 0.45 -1.83 0.51 0.00 -0.04 0.00 0.00 33.50 32.59 1do9 n PRO 81 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1do9 h ASP 82 N 0.00 0.22 -0.55 3.54 3.32 -2.01 -1.25 116.42 119.69 1do9 h ASP 82 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1do9 h ASP 82 Cb 0.60 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 1do9 h ASP 82 CO 0.00 0.21 0.11 0.47 -1.72 0.00 0.00 179.24 178.31 1do9 n ASP 83 N -4.45 4.61 -0.02 6.45 8.00 -1.04 -3.83 116.55 126.26 1do9 n ASP 83 Ca -0.00 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.34 1do9 n ASP 83 Cb 0.12 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.16 0.66 -0.34 -1.24 0.00 -0.47 -4.60 116.66 110.51 1do9 n ARG 84 Ca 0.32 0.01 0.01 0.00 -0.00 0.00 0.00 57.85 58.19 1do9 n ARG 84 Cb 1.19 -1.62 0.01 0.00 0.00 0.00 0.00 32.46 32.05 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1do9 n SER 85 N -2.64 0.29 -2.78 6.15 7.64 -1.25 -4.91 113.62 116.12 1do9 n SER 85 Ca -0.16 -1.91 -0.03 0.00 1.01 0.00 0.00 58.87 57.78 1do9 n SER 85 Cb 0.86 -0.18 0.04 0.00 -1.01 0.00 0.00 64.21 63.92 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1do9 n LYS 86 N -0.16 1.53 -3.42 1.43 0.00 -1.25 -5.04 118.16 111.25 1do9 n LYS 86 Ca 0.02 -3.39 -0.44 0.00 0.00 0.00 0.00 58.31 54.49 1do9 n LYS 86 Cb 0.64 -1.46 -0.05 0.00 0.00 0.00 0.00 35.03 34.16 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 -3.58 6.19 -0.43 3.14 1.43 -1.26 -4.84 118.68 119.33 1do9 s LEU 87 Ca 0.27 -2.28 0.05 0.00 -1.03 0.00 0.00 54.13 51.14 1do9 s LEU 87 Cb 0.37 -2.13 0.30 0.00 0.03 0.00 0.00 46.19 44.76 1do9 s LEU 87 CO -0.01 -0.66 1.12 -0.24 0.23 0.00 0.00 176.35 176.79 1do9 n SER 88 N 4.49 -2.18 -4.80 2.29 2.88 -1.26 -5.15 113.62 109.89 1do9 n SER 88 Ca 0.00 -3.08 -0.39 0.00 -1.33 0.00 0.00 58.87 54.08 1do9 n SER 88 Cb 0.42 1.65 -0.06 0.00 -0.75 0.00 0.00 64.21 65.47 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 0.32 4.35 -1.41 -1.46 2.20 -1.26 -4.96 119.74 117.52 1do9 s LYS 89 Ca 0.25 0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 56.66 1do9 s LYS 89 Cb 0.27 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 1do9 s LYS 89 CO -0.13 0.59 2.55 -0.35 -0.36 0.00 0.00 175.35 177.65 1do9 n PRO 90 N 1.57 3.05 -1.04 4.03 -0.04 -1.26 -4.88 135.00 136.44 1do9 n PRO 90 Ca -0.08 -2.19 0.13 0.00 -0.04 0.00 0.00 63.50 61.33 1do9 n PRO 90 Cb 0.50 -2.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.01 1do9 n PRO 90 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1do9 n MET 91 N 4.69 -2.05 -3.63 0.54 2.81 -1.26 -5.01 117.12 113.21 1do9 n MET 91 Ca 0.64 1.39 -0.04 0.00 -1.81 0.00 0.00 57.70 57.89 1do9 n MET 91 Cb 0.28 -2.52 -0.06 0.00 -0.71 0.00 0.00 33.22 30.20 1do9 n MET 91 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1do9 s GLU 92 N -2.15 0.50 0.50 0.03 -1.05 -1.26 -5.17 118.70 110.10 1do9 s GLU 92 Ca 0.00 0.91 -0.06 0.00 -0.15 0.00 0.00 54.97 55.67 1do9 s GLU 92 Cb 0.00 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1do9 s GLU 92 CO 0.00 -0.11 0.82 -0.08 0.95 0.00 0.00 175.26 176.84 1do9 s THR 93 N 1.61 4.88 -2.00 1.83 -1.32 -1.26 -5.27 115.64 114.11 1do9 s THR 93 Ca -0.09 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1do9 s THR 93 Cb -0.05 -3.86 0.01 0.00 -1.51 0.00 0.00 72.50 67.09 1do9 s THR 93 CO -0.17 -0.88 0.53 -0.11 -2.21 0.00 0.00 174.62 171.77