#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9j s GLN 2 N 0.00 -0.04 0.34 2.12 0.74 -1.26 -0.79 119.66 120.77 1f9j s GLN 2 Ca 0.00 0.30 0.06 0.00 0.05 0.00 0.00 55.36 55.77 1f9j s GLN 2 Cb 0.00 -0.34 -0.07 0.00 1.10 0.00 0.00 33.01 33.70 1f9j s GLN 2 CO 0.00 -0.24 -0.01 0.96 -0.55 0.00 0.00 175.29 175.45 1f9j s ILE 3 N 1.56 1.72 0.04 -2.34 -4.36 -1.02 0.30 121.20 117.10 1f9j s ILE 3 Ca -0.03 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 58.37 1f9j s ILE 3 Cb -0.12 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 1f9j s ILE 3 CO -0.03 -0.11 -0.23 -0.36 0.24 0.00 0.00 174.94 174.45 1f9j s PHE 4 N -2.94 2.01 -0.21 1.37 0.08 0.10 -1.88 117.98 116.51 1f9j s PHE 4 Ca 0.34 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1f9j s PHE 4 Cb 0.07 -1.21 0.05 0.00 -0.57 0.00 0.00 43.02 41.36 1f9j s PHE 4 CO 0.15 0.09 -0.09 0.08 -0.10 0.00 0.00 175.22 175.35 1f9j s VAL 5 N -0.77 1.65 -0.02 -0.44 1.01 0.28 -0.40 120.40 121.72 1f9j s VAL 5 Ca 0.09 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 1f9j s VAL 5 Cb -0.09 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1f9j s VAL 5 CO 0.02 0.09 0.38 -0.75 0.00 0.00 0.00 175.10 174.84 1f9j s LYS 6 N 1.37 3.90 0.32 2.72 2.20 0.21 -0.89 119.74 129.57 1f9j s LYS 6 Ca -0.03 0.35 0.06 0.00 -0.36 0.00 0.00 55.97 56.00 1f9j s LYS 6 Cb -0.17 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1f9j s LYS 6 CO -0.07 0.66 0.41 0.95 -0.36 0.00 0.00 175.35 176.94 1f9j s THR 7 N -0.95 4.19 0.15 3.43 -4.23 -0.27 -1.20 115.64 116.76 1f9j s THR 7 Ca 0.23 -1.08 -0.29 0.00 -1.18 0.00 0.00 61.69 59.37 1f9j s THR 7 Cb -0.16 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 1f9j s THR 7 CO 0.12 -0.20 1.57 0.25 -0.54 0.00 0.00 174.62 175.82 1f9j h LEU 8 N 1.02 -1.54 -1.86 4.79 5.85 -1.89 -0.58 115.31 121.10 1f9j h LEU 8 Ca -0.47 0.22 0.33 0.00 0.84 0.00 0.00 57.88 58.81 1f9j h LEU 8 Cb 1.25 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.88 1f9j h LEU 8 CO 0.55 -0.39 0.82 0.74 -0.34 0.00 0.00 178.44 179.83 1f9j h THR 9 N -0.36 0.42 0.00 1.05 2.02 -1.98 -3.44 112.91 110.62 1f9j h THR 9 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1f9j h THR 9 Cb 0.59 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1f9j h THR 9 CO -0.57 0.01 0.00 0.61 0.37 0.00 0.00 175.52 175.94 1f9j n GLY 10 N -1.71 1.10 3.77 2.16 0.00 -0.22 -5.09 105.19 105.19 1f9j n GLY 10 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1f9j n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f9j s LYS 11 N -0.18 4.23 -0.16 1.61 2.20 -1.26 -4.73 119.74 121.45 1f9j s LYS 11 Ca 0.00 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 1f9j s LYS 11 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1f9j s LYS 11 CO 0.00 -0.38 -0.16 0.99 -0.36 0.00 0.00 175.35 175.44 1f9j s THR 12 N -0.96 2.57 -0.17 3.43 2.01 -1.26 -1.11 115.64 120.15 1f9j s THR 12 Ca 0.52 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 1f9j s THR 12 Cb -0.43 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1f9j s THR 12 CO 0.56 0.52 0.19 -0.63 -0.69 0.00 0.00 174.62 174.57 1f9j s ILE 13 N 0.86 5.38 -0.14 1.82 1.01 -0.06 -4.93 121.20 125.14 1f9j s ILE 13 Ca -0.05 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1f9j s ILE 13 Cb -0.15 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1f9j s ILE 13 CO -0.01 0.45 -0.00 -0.89 0.00 0.00 0.00 174.94 174.49 1f9j s THR 14 N 0.17 4.23 -0.00 2.92 2.01 -1.26 -0.55 115.64 123.16 1f9j s THR 14 Ca 0.12 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1f9j s THR 14 Cb -0.12 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1f9j s THR 14 CO 0.01 0.53 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.59 1f9j s LEU 15 N -0.08 2.05 -0.31 4.42 1.43 -0.79 -5.02 118.68 120.38 1f9j s LEU 15 Ca 0.04 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 1f9j s LEU 15 Cb -0.13 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1f9j s LEU 15 CO 0.02 0.12 0.55 -1.61 0.23 0.00 0.00 176.35 175.66 1f9j s GLU 16 N -0.43 3.86 0.36 1.70 0.41 -1.26 -2.42 118.70 120.93 1f9j s GLU 16 Ca 0.04 0.15 0.05 0.00 -0.41 0.00 0.00 54.97 54.80 1f9j s GLU 16 Cb -0.05 -3.73 -0.03 0.00 -1.78 0.00 0.00 34.13 28.54 1f9j s GLU 16 CO -0.00 -0.52 0.18 0.14 -0.49 0.00 0.00 175.26 174.56 1f9j s VAL 17 N 2.45 0.35 0.11 2.63 -7.23 0.03 -4.94 120.40 113.79 1f9j s VAL 17 Ca 0.22 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1f9j s VAL 17 Cb -0.15 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1f9j s VAL 17 CO 0.12 0.00 -0.24 -1.61 -0.31 0.00 0.00 175.10 173.06 1f9j s GLU 18 N -3.66 1.27 0.57 4.82 0.41 -1.26 -0.99 118.70 119.87 1f9j s GLU 18 Ca 0.31 -1.22 0.28 0.00 -0.41 0.00 0.00 54.97 53.93 1f9j s GLU 18 Cb 0.03 -1.62 1.54 0.00 -1.78 0.00 0.00 34.13 32.30 1f9j s GLU 18 CO 0.19 0.38 2.02 -1.35 -0.49 0.00 0.00 175.26 176.02 1f9j h PRO 19 N 4.07 0.00 -0.19 0.39 0.11 -1.97 -0.26 132.00 134.14 1f9j h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1f9j h PRO 19 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1f9j h PRO 19 CO 0.40 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 1f9j n SER 20 N -3.92 1.95 -4.74 -2.05 3.41 -1.26 -1.06 113.62 105.95 1f9j n SER 20 Ca 0.05 -1.75 -0.41 0.00 -0.26 0.00 0.00 58.87 56.50 1f9j n SER 20 Cb 0.47 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1f9j n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1f9j s ASP 21 N -1.58 6.98 0.86 4.04 1.01 -0.11 -4.79 116.67 123.08 1f9j s ASP 21 Ca 0.33 2.34 -0.13 0.00 0.71 0.00 0.00 52.55 55.80 1f9j s ASP 21 Cb 0.18 -2.61 0.12 0.00 1.01 0.00 0.00 42.92 41.62 1f9j s ASP 21 CO 0.27 -0.45 1.21 0.42 0.21 0.00 0.00 175.17 176.83 1f9j s THR 22 N -0.05 2.00 0.18 -1.27 -4.23 -1.26 -1.48 115.64 109.53 1f9j s THR 22 Ca 0.54 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.20 1f9j s THR 22 Cb -0.35 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.56 1f9j s THR 22 CO 0.38 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.50 1f9j h ILE 23 N -1.26 1.15 -0.57 2.99 1.08 -0.56 -2.83 117.51 117.50 1f9j h ILE 23 Ca -0.46 -1.91 -0.03 0.00 -0.39 0.00 0.00 64.86 62.07 1f9j h ILE 23 Cb 1.30 2.10 -0.03 0.00 -3.07 0.00 0.00 36.82 37.13 1f9j h ILE 23 CO 0.58 0.50 0.23 -0.08 -0.69 0.00 0.00 178.15 178.70 1f9j h GLU 24 N 0.00 0.85 -0.65 2.37 4.81 -1.15 -0.84 114.58 119.96 1f9j h GLU 24 Ca -0.01 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1f9j h GLU 24 Cb 1.06 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1f9j h GLU 24 CO 0.07 0.73 0.25 -0.91 -0.73 0.00 0.00 179.01 178.41 1f9j h ASN 25 N 0.78 0.88 -0.33 1.04 2.35 -1.78 -2.21 115.58 116.31 1f9j h ASN 25 Ca 0.19 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1f9j h ASN 25 Cb 0.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1f9j h ASN 25 CO -0.02 0.80 -0.35 0.58 -1.65 0.00 0.00 177.43 176.79 1f9j h VAL 26 N 0.94 1.28 0.00 2.81 2.07 -1.31 -2.36 116.25 119.67 1f9j h VAL 26 Ca 0.22 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1f9j h VAL 26 Cb 0.20 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1f9j h VAL 26 CO -0.02 0.51 -0.22 0.11 0.02 0.00 0.00 177.57 177.97 1f9j h LYS 27 N 0.72 0.00 -0.21 1.57 1.57 -0.86 -0.40 116.57 118.96 1f9j h LYS 27 Ca 0.07 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1f9j h LYS 27 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1f9j h LYS 27 CO 0.09 0.22 -0.56 0.00 -0.57 0.00 0.00 179.45 178.63 1f9j h ALA 28 N 1.78 0.63 0.00 3.86 0.00 -1.04 -1.46 119.26 123.03 1f9j h ALA 28 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 1f9j h ALA 28 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1f9j h ALA 28 CO 0.03 0.69 -0.55 0.87 0.00 0.00 0.00 179.25 180.29 1f9j h LYS 29 N 0.48 0.00 -0.01 0.00 1.57 -0.82 -2.61 116.57 115.19 1f9j h LYS 29 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1f9j h LYS 29 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1f9j h LYS 29 CO 0.11 0.55 -0.85 0.82 -0.57 0.00 0.00 179.45 179.51 1f9j h ILE 30 N 0.00 1.48 -0.20 1.86 2.04 -0.90 -1.70 117.51 120.09 1f9j h ILE 30 Ca -0.01 -2.55 -0.09 0.00 1.00 0.00 0.00 64.86 63.22 1f9j h ILE 30 Cb 1.09 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1f9j h ILE 30 CO 0.07 0.74 -0.26 -0.61 0.00 0.00 0.00 178.15 178.10 1f9j h GLN 31 N 0.12 0.37 -0.26 2.37 4.15 -1.07 0.64 115.11 121.42 1f9j h GLN 31 Ca -0.04 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 1f9j h GLN 31 Cb 1.46 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 1f9j h GLN 31 CO 0.13 0.60 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.87 1f9j h ASP 32 N 0.33 0.74 1.09 -0.69 5.19 -1.29 0.14 116.42 121.92 1f9j h ASP 32 Ca 0.05 -0.49 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1f9j h ASP 32 Cb 0.63 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1f9j h ASP 32 CO 0.05 1.08 -0.82 0.11 -3.12 0.00 0.00 179.24 176.53 1f9j h LYS 33 N 0.41 0.00 0.00 3.56 1.57 -1.12 -3.40 116.57 117.58 1f9j h LYS 33 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1f9j h LYS 33 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1f9j h LYS 33 CO 0.08 0.00 -0.19 0.39 -0.57 0.00 0.00 179.45 179.16 1f9j n GLU 34 N -2.63 4.10 -2.22 3.15 -0.58 0.22 -5.03 120.64 117.65 1f9j n GLU 34 Ca 0.01 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.63 1f9j n GLU 34 Cb 0.53 -0.48 -0.01 0.00 -0.57 0.00 0.00 31.44 30.91 1f9j n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f9j n GLY 35 N 0.98 -0.11 3.25 0.62 0.00 0.47 -4.98 105.19 105.42 1f9j n GLY 35 Ca 0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1f9j n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f9j s ILE 36 N -2.62 2.52 0.23 -0.61 1.01 -1.26 -5.02 121.20 115.46 1f9j s ILE 36 Ca 0.00 -0.83 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 1f9j s ILE 36 Cb 0.00 -2.04 -0.12 0.00 0.01 0.00 0.00 42.46 40.30 1f9j s ILE 36 CO 0.00 0.53 1.63 -2.65 0.00 0.00 0.00 174.94 174.45 1f9j n PRO 37 N 3.97 2.59 -0.22 2.79 -0.02 -1.26 -3.79 135.00 139.06 1f9j n PRO 37 Ca -0.19 0.93 0.29 0.00 -2.02 0.00 0.00 63.50 62.51 1f9j n PRO 37 Cb 0.52 -2.73 0.71 0.00 -0.02 0.00 0.00 33.50 31.98 1f9j n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1f9j h PRO 38 N 5.79 0.04 0.00 0.52 0.11 -1.93 0.46 132.00 136.99 1f9j h PRO 38 Ca -0.45 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1f9j h PRO 38 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1f9j h PRO 38 CO 0.88 0.03 -0.49 0.38 -0.21 0.00 0.00 178.00 178.59 1f9j h ASP 39 N 0.04 0.00 1.02 -2.05 2.03 -1.95 -2.85 116.42 112.66 1f9j h ASP 39 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1f9j h ASP 39 Cb 1.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.29 1f9j h ASP 39 CO -0.03 0.49 -0.52 1.56 -1.03 0.00 0.00 179.24 179.71 1f9j h GLN 40 N 0.00 0.00 -6.57 4.15 4.20 -0.30 -3.44 115.11 113.14 1f9j h GLN 40 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1f9j h GLN 40 Cb 0.93 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1f9j h GLN 40 CO 0.06 0.00 0.13 -0.65 -0.67 0.00 0.00 178.83 177.70 1f9j s GLN 41 N -3.17 4.32 -0.07 1.46 -0.21 -0.63 -0.52 119.66 120.84 1f9j s GLN 41 Ca 0.07 0.94 -0.00 0.00 0.02 0.00 0.00 55.36 56.38 1f9j s GLN 41 Cb 0.13 -2.94 0.03 0.00 1.00 0.00 0.00 33.01 31.22 1f9j s GLN 41 CO 0.70 0.42 -0.03 1.03 -2.12 0.00 0.00 175.29 175.30 1f9j s ARG 42 N -1.83 0.83 -0.16 2.91 1.81 0.95 -4.77 118.95 118.69 1f9j s ARG 42 Ca 0.42 -0.02 -0.05 0.00 -1.72 0.00 0.00 55.73 54.36 1f9j s ARG 42 Cb -0.18 -1.04 -0.03 0.00 -0.45 0.00 0.00 34.95 33.25 1f9j s ARG 42 CO 0.22 -0.23 -0.00 -0.51 -0.68 0.00 0.00 175.30 174.10 1f9j s LEU 43 N 1.61 3.46 -0.03 2.53 1.02 -1.26 -0.42 118.68 125.60 1f9j s LEU 43 Ca 0.00 -0.04 0.07 0.00 0.02 0.00 0.00 54.13 54.18 1f9j s LEU 43 Cb -0.13 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 1f9j s LEU 43 CO -0.04 0.19 -0.23 -0.63 0.02 0.00 0.00 176.35 175.66 1f9j s ILE 44 N 0.26 2.33 -0.14 -0.59 -1.09 0.10 -1.27 121.20 120.80 1f9j s ILE 44 Ca -0.01 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.36 1f9j s ILE 44 Cb -0.13 -1.84 0.07 0.00 -1.58 0.00 0.00 42.46 38.97 1f9j s ILE 44 CO 0.02 0.58 0.30 0.12 -1.23 0.00 0.00 174.94 174.73 1f9j s PHE 45 N -0.62 -0.50 -1.59 3.97 5.36 -0.24 -0.64 117.98 123.73 1f9j s PHE 45 Ca 0.10 1.08 -0.03 0.00 -0.96 0.00 0.00 56.93 57.12 1f9j s PHE 45 Cb -0.10 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 1f9j s PHE 45 CO -0.00 -0.37 0.42 0.00 -1.46 0.00 0.00 175.22 173.80 1f9j n ALA 46 N 5.24 -0.84 -1.03 11.12 0.00 -1.26 -1.59 120.51 132.15 1f9j n ALA 46 Ca -0.09 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 1f9j n ALA 46 Cb 0.50 -3.32 -0.00 0.00 0.00 0.00 0.00 19.45 16.63 1f9j n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f9j n GLY 47 N -1.36 0.47 3.33 0.00 0.00 -1.26 -5.02 105.19 101.34 1f9j n GLY 47 Ca -0.15 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1f9j n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f9j s LYS 48 N -0.91 2.66 -0.25 1.61 2.36 -0.62 -5.09 119.74 119.51 1f9j s LYS 48 Ca 0.00 -0.83 -0.26 0.00 -2.55 0.00 0.00 55.97 52.33 1f9j s LYS 48 Cb 0.00 -2.28 -0.00 0.00 -1.05 0.00 0.00 37.83 34.50 1f9j s LYS 48 CO 0.00 0.41 0.89 -1.14 1.55 0.00 0.00 175.35 177.05 1f9j s GLN 49 N -0.21 4.18 0.54 4.03 0.74 -1.26 -1.08 119.66 126.60 1f9j s GLN 49 Ca -0.01 1.02 -0.18 0.00 0.05 0.00 0.00 55.36 56.23 1f9j s GLN 49 Cb -0.13 -3.65 -0.06 0.00 1.10 0.00 0.00 33.01 30.26 1f9j s GLN 49 CO 0.03 -0.57 1.06 -0.51 -0.55 0.00 0.00 175.29 174.75 1f9j s LEU 50 N 2.97 3.69 -0.18 3.68 1.43 -0.39 -5.01 118.68 124.86 1f9j s LEU 50 Ca 0.37 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.32 1f9j s LEU 50 Cb -0.15 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1f9j s LEU 50 CO 0.08 -1.02 0.10 -1.61 0.23 0.00 0.00 176.35 174.13 1f9j s GLU 51 N -3.56 4.01 0.37 1.70 2.02 -1.26 -4.75 118.70 117.23 1f9j s GLU 51 Ca 0.67 -0.26 0.14 0.00 0.02 0.00 0.00 54.97 55.54 1f9j s GLU 51 Cb -0.18 -3.30 0.97 0.00 0.10 0.00 0.00 34.13 31.72 1f9j s GLU 51 CO 0.28 0.35 1.79 -0.44 0.02 0.00 0.00 175.26 177.26 1f9j h ASP 52 N 6.47 0.56 0.55 -0.19 5.19 -1.97 -2.16 116.42 124.87 1f9j h ASP 52 Ca -0.41 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1f9j h ASP 52 Cb 1.16 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1f9j h ASP 52 CO 0.72 0.17 -0.02 0.61 -3.12 0.00 0.00 179.24 177.60 1f9j n GLY 53 N -1.43 -1.25 3.89 2.75 0.00 -1.26 -0.64 105.19 107.25 1f9j n GLY 53 Ca 0.23 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1f9j n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f9j s ARG 54 N -2.57 3.72 0.50 1.61 1.81 -0.81 -4.87 118.95 118.34 1f9j s ARG 54 Ca 0.28 0.15 -0.01 0.00 -1.72 0.00 0.00 55.73 54.44 1f9j s ARG 54 Cb 0.20 -2.66 0.01 0.00 -0.45 0.00 0.00 34.95 32.05 1f9j s ARG 54 CO 0.47 0.28 0.74 0.95 -0.68 0.00 0.00 175.30 177.05 1f9j s THR 55 N -1.92 3.70 0.21 0.02 -4.23 -1.26 -1.56 115.64 110.60 1f9j s THR 55 Ca 0.46 -0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 60.44 1f9j s THR 55 Cb -0.11 -3.39 0.14 0.00 1.34 0.00 0.00 72.50 70.48 1f9j s THR 55 CO 0.25 -0.30 1.86 -0.07 -0.54 0.00 0.00 174.62 175.82 1f9j h LEU 56 N 0.22 0.78 -2.49 4.79 3.38 -1.17 -1.89 115.31 118.94 1f9j h LEU 56 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1f9j h LEU 56 Cb 1.26 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1f9j h LEU 56 CO 0.57 0.55 0.02 0.77 0.09 0.00 0.00 178.44 180.45 1f9j h SER 57 N 0.92 0.00 1.20 -0.43 4.64 -1.34 -0.73 113.55 117.81 1f9j h SER 57 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1f9j h SER 57 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1f9j h SER 57 CO -0.08 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.32 1f9j h ASP 58 N 0.00 0.00 -0.30 4.97 3.32 -1.62 -2.97 116.42 119.83 1f9j h ASP 58 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1f9j h ASP 58 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1f9j h ASP 58 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1f9j n TYR 59 N -3.03 0.56 -2.67 4.55 4.01 -0.32 -4.97 117.16 115.29 1f9j n TYR 59 Ca 0.01 -0.61 -0.20 0.00 -0.16 0.00 0.00 57.90 56.95 1f9j n TYR 59 Cb 0.35 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1f9j n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1f9j n ASN 60 N 0.16 -5.32 -4.58 7.72 3.02 -1.08 -4.91 115.26 110.26 1f9j n ASN 60 Ca 0.14 -0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 1f9j n ASN 60 Cb 0.55 -4.40 -0.02 0.00 -0.61 0.00 0.00 39.78 35.30 1f9j n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1f9j s ILE 61 N -2.97 4.15 0.05 2.41 1.01 -0.99 -5.00 121.20 119.85 1f9j s ILE 61 Ca 0.12 0.97 -0.00 0.00 0.00 0.00 0.00 60.65 61.74 1f9j s ILE 61 Cb -0.06 -4.65 0.01 0.00 0.01 0.00 0.00 42.46 37.77 1f9j s ILE 61 CO 0.15 -1.16 0.07 0.00 0.00 0.00 0.00 174.94 173.99 1f9j n GLN 62 N 8.06 0.34 -2.08 2.79 6.02 -1.26 -4.55 117.38 126.69 1f9j n GLN 62 Ca 0.09 -0.14 -0.39 0.00 -0.01 0.00 0.00 57.00 56.55 1f9j n GLN 62 Cb 0.49 -0.05 -0.01 0.00 1.02 0.00 0.00 30.24 31.69 1f9j n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1f9j s LYS 63 N -2.77 3.98 0.00 -1.09 2.47 -1.26 -3.01 119.74 118.06 1f9j s LYS 63 Ca 0.04 2.12 0.00 0.00 -1.56 0.00 0.00 55.97 56.57 1f9j s LYS 63 Cb -0.00 -2.75 0.00 0.00 -1.46 0.00 0.00 37.83 33.62 1f9j s LYS 63 CO 0.03 -0.47 0.00 0.39 0.16 0.00 0.00 175.35 175.46 1f9j n GLU 64 N 0.12 -0.52 -1.45 4.03 4.71 0.15 -4.99 120.64 122.69 1f9j n GLU 64 Ca 0.04 0.13 -0.35 0.00 -0.01 0.00 0.00 57.16 56.97 1f9j n GLU 64 Cb 0.44 -3.77 0.09 0.00 -1.01 0.00 0.00 31.44 27.19 1f9j n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1f9j s SER 65 N -2.24 4.21 -0.13 1.62 0.01 -1.16 -4.59 113.70 111.41 1f9j s SER 65 Ca 0.00 2.39 0.01 0.00 1.31 0.00 0.00 55.95 59.66 1f9j s SER 65 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 1f9j s SER 65 CO 0.00 -2.26 -0.17 -0.89 0.41 0.00 0.00 173.24 170.33 1f9j s THR 66 N -1.91 2.59 0.13 1.44 2.01 -1.26 0.01 115.64 118.65 1f9j s THR 66 Ca 0.75 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1f9j s THR 66 Cb -0.30 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1f9j s THR 66 CO 0.45 0.53 -0.09 -0.76 -0.69 0.00 0.00 174.62 174.06 1f9j s LEU 67 N 0.53 3.04 -0.19 4.42 1.02 0.47 -4.77 118.68 123.21 1f9j s LEU 67 Ca -0.11 -0.44 -0.04 0.00 0.02 0.00 0.00 54.13 53.56 1f9j s LEU 67 Cb -0.16 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 1f9j s LEU 67 CO 0.04 0.15 -0.04 -1.00 0.02 0.00 0.00 176.35 175.52 1f9j s HIS 68 N -1.38 2.97 -0.32 0.29 3.76 0.19 0.63 115.29 121.44 1f9j s HIS 68 Ca 0.23 -0.61 -0.22 0.00 -0.15 0.00 0.00 55.06 54.31 1f9j s HIS 68 Cb -0.10 -2.03 -0.00 0.00 1.11 0.00 0.00 32.58 31.56 1f9j s HIS 68 CO 0.14 -0.29 0.70 -1.17 -0.85 0.00 0.00 174.74 173.27 1f9j s LEU 69 N 0.93 4.14 0.14 0.89 2.96 -0.34 -0.72 118.68 126.68 1f9j s LEU 69 Ca -0.00 0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.47 1f9j s LEU 69 Cb -0.15 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1f9j s LEU 69 CO 0.01 -0.56 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.63 1f9j s VAL 70 N 2.79 2.93 -0.12 1.68 1.01 0.44 -4.42 120.40 124.71 1f9j s VAL 70 Ca 0.28 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1f9j s VAL 70 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1f9j s VAL 70 CO 0.13 0.02 0.06 -0.76 0.00 0.00 0.00 175.10 174.54 1f9j s LEU 71 N -2.41 3.90 -0.33 3.92 1.43 -1.26 -0.04 118.68 123.90 1f9j s LEU 71 Ca 0.20 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1f9j s LEU 71 Cb -0.10 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.29 1f9j s LEU 71 CO 0.12 0.34 0.09 -0.60 0.23 0.00 0.00 176.35 176.53 1f9j s ARG 72 N -0.64 0.98 -0.26 1.70 3.00 0.33 -4.92 118.95 119.14 1f9j s ARG 72 Ca 0.11 -1.38 -0.13 0.00 -1.00 0.00 0.00 55.73 53.33 1f9j s ARG 72 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 34.95 32.40 1f9j s ARG 72 CO 0.02 -0.98 0.29 -0.51 0.00 0.00 0.00 175.30 174.12 1f9j s LEU 73 N 1.32 4.06 0.00 -0.88 2.01 -1.26 -4.22 118.68 119.70 1f9j s LEU 73 Ca 0.11 0.21 -0.00 0.00 0.01 0.00 0.00 54.13 54.46 1f9j s LEU 73 Cb -0.18 -2.31 -0.00 0.00 0.01 0.00 0.00 46.19 43.71 1f9j s LEU 73 CO -0.19 -0.09 0.03 0.54 1.01 0.00 0.00 176.35 177.65 1f9j n ARG 74 N 4.97 -0.00 -0.00 1.70 1.74 -1.26 -2.36 116.66 121.45 1f9j n ARG 74 Ca -0.11 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1f9j n ARG 74 Cb 0.51 -0.04 -0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1f9j n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f9j n GLY 75 N -1.00 0.84 0.00 -0.13 0.00 -1.26 -5.27 105.19 98.37 1f9j n GLY 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1f9j n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93