#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctj n ALA 2 N 0.00 -0.21 -0.67 4.31 0.00 -1.26 -5.01 120.51 117.67 1ctj n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ctj n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ctj n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ctj n ASP 3 N -1.33 -0.89 0.17 0.00 -0.08 -1.26 -4.34 116.55 108.82 1ctj n ASP 3 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1ctj n ASP 3 Cb 0.00 -0.45 0.23 0.00 2.34 0.00 0.00 41.12 43.24 1ctj n ASP 3 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ctj h LEU 4 N 0.00 0.00 -0.32 -2.67 3.38 -1.95 -0.92 115.31 112.83 1ctj h LEU 4 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ctj h LEU 4 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ctj h LEU 4 CO 0.00 0.46 -0.24 0.00 0.09 0.00 0.00 178.44 178.75 1ctj h ALA 5 N 1.54 0.46 -0.34 1.53 0.00 -1.97 -0.39 119.26 120.09 1ctj h ALA 5 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ctj h ALA 5 Cb 1.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ctj h ALA 5 CO 0.06 0.43 0.20 1.25 0.00 0.00 0.00 179.25 181.19 1ctj h LEU 6 N 0.48 0.41 -1.14 0.00 5.85 -1.91 -1.96 115.31 117.04 1ctj h LEU 6 Ca 0.06 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ctj h LEU 6 Cb 0.79 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1ctj h LEU 6 CO 0.06 0.35 0.52 1.23 -0.34 0.00 0.00 178.44 180.26 1ctj h GLY 7 N 0.43 1.18 1.06 3.75 0.00 -0.93 -0.97 103.07 107.60 1ctj h GLY 7 Ca 0.12 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1ctj h GLY 7 CO -0.02 0.45 0.06 1.70 0.00 0.00 0.00 176.54 178.73 1ctj h LYS 8 N 1.13 1.04 -0.74 4.80 3.64 -0.81 -0.05 116.57 125.58 1ctj h LYS 8 Ca 0.30 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ctj h LYS 8 Cb -0.09 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1ctj h LYS 8 CO -0.06 0.99 0.46 0.00 -2.27 0.00 0.00 179.45 178.57 1ctj h ALA 9 N 1.01 0.94 -0.55 5.00 0.00 -0.74 0.12 119.26 125.04 1ctj h ALA 9 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ctj h ALA 9 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ctj h ALA 9 CO 0.02 0.39 0.15 0.28 0.00 0.00 0.00 179.25 180.08 1ctj h VAL 10 N 1.00 1.24 0.24 0.00 2.07 -1.02 -1.52 116.25 118.26 1ctj h VAL 10 Ca 0.27 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1ctj h VAL 10 Cb -0.07 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1ctj h VAL 10 CO -0.05 0.31 -0.14 0.15 0.02 0.00 0.00 177.57 177.86 1ctj h PHE 11 N 0.77 -0.37 -0.29 1.57 3.04 -0.62 -1.62 116.94 119.43 1ctj h PHE 11 Ca 0.17 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.08 1ctj h PHE 11 Cb 0.32 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1ctj h PHE 11 CO 0.02 -0.23 -0.01 -0.44 -2.02 0.00 0.00 178.31 175.63 1ctj h ASP 12 N -0.37 0.41 1.36 0.41 3.32 -0.89 0.10 116.42 120.76 1ctj h ASP 12 Ca -0.02 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1ctj h ASP 12 Cb 0.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ctj h ASP 12 CO 0.03 0.48 -0.39 1.23 -1.72 0.00 0.00 179.24 178.87 1ctj h GLY 13 N 0.77 0.00 0.00 2.75 0.00 -1.05 -3.39 103.07 102.15 1ctj h GLY 13 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1ctj h GLY 13 CO 0.01 0.00 -0.47 0.70 0.00 0.00 0.00 176.54 176.78 1ctj n ASN 14 N -3.28 2.35 -0.04 0.19 3.02 -0.63 -4.91 115.26 111.96 1ctj n ASN 14 Ca 0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.55 1ctj n ASN 14 Cb 0.63 0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.97 1ctj n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ctj h ALA 16 N 0.87 1.00 -0.10 0.00 0.00 -1.41 -1.60 119.26 118.03 1ctj h ALA 16 Ca -0.23 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1ctj h ALA 16 Cb 1.40 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ctj h ALA 16 CO 0.01 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.33 1ctj h ALA 17 N 2.10 2.07 0.00 0.00 0.00 -1.86 -2.89 119.26 118.68 1ctj h ALA 17 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ctj h ALA 17 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ctj h ALA 17 CO 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 179.25 178.63 1ctj n HIS 19 N -1.16 0.00 -1.73 0.00 8.25 -0.67 -1.12 115.22 118.78 1ctj n HIS 19 Ca 0.00 -0.35 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1ctj n HIS 19 Cb 0.00 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 1ctj n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ctj n ALA 20 N -0.50 1.94 -0.96 -1.41 0.00 -1.09 -1.03 120.51 117.46 1ctj n ALA 20 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ctj n ALA 20 Cb 0.65 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1ctj n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ctj n GLY 21 N 1.06 0.64 1.41 0.00 0.00 -1.26 -3.42 105.19 103.62 1ctj n GLY 21 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ctj n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctj n GLY 22 N -2.16 0.64 0.00 -0.02 0.00 -0.20 -4.87 105.19 98.58 1ctj n GLY 22 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ctj n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctj n GLY 23 N -2.71 0.68 2.89 -0.02 0.00 -1.21 -0.74 105.19 104.08 1ctj n GLY 23 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1ctj n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ctj s ASN 24 N -1.00 0.49 0.38 1.61 3.84 -1.26 -4.28 114.94 114.72 1ctj s ASN 24 Ca 0.00 0.16 0.27 0.00 0.21 0.00 0.00 52.86 53.49 1ctj s ASN 24 Cb 0.00 0.95 0.89 0.00 -0.55 0.00 0.00 41.25 42.53 1ctj s ASN 24 CO 0.00 -0.30 1.78 0.78 -2.79 0.00 0.00 177.10 176.57 1ctj h ASN 25 N 8.22 0.00 0.00 -4.21 2.35 -1.49 -3.21 115.58 117.23 1ctj h ASN 25 Ca -0.19 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.26 1ctj h ASN 25 Cb 1.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 1ctj h ASN 25 CO 0.27 0.00 -1.64 0.52 -1.65 0.00 0.00 177.43 174.93 1ctj n VAL 26 N -2.72 1.53 -3.80 2.81 0.31 -1.26 -4.77 118.33 110.43 1ctj n VAL 26 Ca 0.03 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 1ctj n VAL 26 Cb 0.37 -2.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.17 1ctj n VAL 26 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ctj s ILE 27 N -2.41 1.87 0.61 2.52 1.01 -1.25 -5.03 121.20 118.52 1ctj s ILE 27 Ca -0.32 -2.88 0.32 0.00 0.00 0.00 0.00 60.65 57.77 1ctj s ILE 27 Cb 0.09 -2.30 0.37 0.00 0.01 0.00 0.00 42.46 40.62 1ctj s ILE 27 CO 0.56 -0.87 2.14 -0.65 0.00 0.00 0.00 174.94 176.11 1ctj h PRO 28 N 6.60 0.00 -0.00 2.79 0.11 -1.85 -1.18 132.00 138.46 1ctj h PRO 28 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ctj h PRO 28 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ctj h PRO 28 CO 0.56 0.00 -0.26 -0.40 -0.21 0.00 0.00 178.00 177.69 1ctj n ASP 29 N -3.56 0.65 -3.61 -2.05 5.75 -1.26 -4.28 116.55 108.20 1ctj n ASP 29 Ca -0.00 -0.52 -0.41 0.00 -0.01 0.00 0.00 54.79 53.85 1ctj n ASP 29 Cb 0.27 0.06 0.01 0.00 -1.03 0.00 0.00 41.12 40.42 1ctj n ASP 29 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1ctj n HIS 30 N -1.02 2.66 -1.94 2.11 8.25 -0.45 -4.90 115.22 119.92 1ctj n HIS 30 Ca 0.11 -2.71 -0.29 0.00 -0.26 0.00 0.00 57.72 54.56 1ctj n HIS 30 Cb 0.32 -1.60 0.16 0.00 1.12 0.00 0.00 29.99 30.00 1ctj n HIS 30 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ctj s THR 31 N -2.16 2.01 -0.71 1.59 -4.23 -1.26 -4.62 115.64 106.26 1ctj s THR 31 Ca 0.46 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1ctj s THR 31 Cb 0.17 -2.99 0.59 0.00 1.34 0.00 0.00 72.50 71.60 1ctj s THR 31 CO -0.08 0.00 1.42 0.18 -0.54 0.00 0.00 174.62 175.60 1ctj n LEU 32 N -3.63 4.24 -4.80 4.79 4.77 0.09 -4.21 117.00 118.25 1ctj n LEU 32 Ca 0.13 -2.15 -0.35 0.00 -0.03 0.00 0.00 56.01 53.62 1ctj n LEU 32 Cb 0.60 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ctj n LEU 32 CO 0.48 0.56 0.66 -1.10 -1.33 0.00 0.00 177.39 176.67 1ctj s GLN 33 N -2.13 4.34 0.18 3.23 -1.52 -1.26 -4.48 119.66 118.02 1ctj s GLN 33 Ca 0.40 1.23 -0.17 0.00 -1.95 0.00 0.00 55.36 54.87 1ctj s GLN 33 Cb 0.29 -2.43 0.12 0.00 -0.22 0.00 0.00 33.01 30.77 1ctj s GLN 33 CO 0.14 0.06 1.65 1.57 -0.25 0.00 0.00 175.29 178.45 1ctj h LYS 34 N 2.39 -0.05 -0.09 2.91 2.10 -1.91 -0.65 116.57 121.26 1ctj h LYS 34 Ca -0.48 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.10 1ctj h LYS 34 Cb 1.19 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1ctj h LYS 34 CO 0.62 -0.03 -0.29 0.00 -2.00 0.00 0.00 179.45 177.75 1ctj h ALA 35 N 1.34 1.34 -0.13 0.07 0.00 -1.95 -0.68 119.26 119.25 1ctj h ALA 35 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ctj h ALA 35 Cb 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ctj h ALA 35 CO -0.48 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 1ctj h ALA 36 N 1.55 0.19 -0.64 0.00 0.00 -1.69 -2.77 119.26 115.90 1ctj h ALA 36 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ctj h ALA 36 Cb 0.60 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ctj h ALA 36 CO 0.04 0.06 0.39 0.82 0.00 0.00 0.00 179.25 180.56 1ctj h ILE 37 N -0.07 1.07 -0.49 0.00 2.04 -0.68 0.49 117.51 119.86 1ctj h ILE 37 Ca 0.02 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1ctj h ILE 37 Cb 0.67 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1ctj h ILE 37 CO 0.03 0.14 0.33 -0.33 0.00 0.00 0.00 178.15 178.32 1ctj h GLU 38 N 0.76 0.55 0.20 2.37 5.08 -1.14 -1.08 114.58 121.32 1ctj h GLU 38 Ca 0.26 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 58.25 1ctj h GLU 38 Cb 0.04 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ctj h GLU 38 CO -0.11 0.36 -1.64 1.96 -1.00 0.00 0.00 179.01 178.58 1ctj h GLN 39 N 0.56 0.42 0.00 2.33 1.08 -1.07 -3.43 115.11 115.00 1ctj h GLN 39 Ca 0.20 -0.71 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1ctj h GLN 39 Cb 0.09 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ctj h GLN 39 CO -0.05 1.34 -1.11 1.19 -0.95 0.00 0.00 178.83 179.25 1ctj n PHE 40 N -3.67 0.00 -2.90 2.96 3.72 0.09 -4.90 117.46 112.77 1ctj n PHE 40 Ca -0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 1ctj n PHE 40 Cb 1.06 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 39.41 1ctj n PHE 40 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ctj s LEU 41 N -3.27 4.09 -0.20 4.37 2.96 -0.42 -4.98 118.68 121.23 1ctj s LEU 41 Ca -0.01 0.35 -0.37 0.00 -0.22 0.00 0.00 54.13 53.88 1ctj s LEU 41 Cb 0.07 -3.10 -0.13 0.00 0.50 0.00 0.00 46.19 43.52 1ctj s LEU 41 CO 0.41 -0.82 1.85 -0.67 -1.32 0.00 0.00 176.35 175.80 1ctj n ASP 42 N 6.63 2.88 0.00 3.68 2.03 -1.26 -0.68 116.55 129.83 1ctj n ASP 42 Ca 0.04 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1ctj n ASP 42 Cb 0.48 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1ctj n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ctj n GLY 43 N 4.52 2.93 2.90 0.27 0.00 -1.26 -4.91 105.19 109.64 1ctj n GLY 43 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ctj n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctj n GLY 44 N -1.10 -2.27 3.49 -0.02 0.00 0.15 -4.64 105.19 100.80 1ctj n GLY 44 Ca 0.00 -1.73 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 1ctj n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctj s PHE 45 N -0.27 3.26 -0.08 1.61 5.36 -1.26 -4.69 117.98 121.91 1ctj s PHE 45 Ca 0.00 -1.90 -0.11 0.00 -0.96 0.00 0.00 56.93 53.96 1ctj s PHE 45 Cb 0.00 -4.43 0.03 0.00 -0.34 0.00 0.00 43.02 38.28 1ctj s PHE 45 CO 0.00 -1.52 0.29 -0.80 -1.46 0.00 0.00 175.22 171.73 1ctj s ASN 46 N 3.31 -0.25 0.23 6.13 0.02 -1.26 -5.06 114.94 118.05 1ctj s ASN 46 Ca 0.44 0.40 -0.07 0.00 -1.02 0.00 0.00 52.86 52.61 1ctj s ASN 46 Cb -0.01 0.50 0.33 0.00 0.02 0.00 0.00 41.25 42.08 1ctj s ASN 46 CO 0.00 -0.21 1.80 0.40 0.02 0.00 0.00 177.10 179.11 1ctj h ILE 47 N 4.43 0.90 -0.31 0.60 1.08 -1.95 -2.21 117.51 120.05 1ctj h ILE 47 Ca -0.27 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.92 1ctj h ILE 47 Cb 1.19 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1ctj h ILE 47 CO 0.35 0.12 -0.01 1.05 -0.69 0.00 0.00 178.15 178.97 1ctj h GLU 48 N 0.68 0.49 -0.13 2.37 -0.00 -1.97 0.57 114.58 116.58 1ctj h GLU 48 Ca 0.35 -0.10 -0.11 0.00 -0.00 0.00 0.00 59.36 59.50 1ctj h GLU 48 Cb 0.32 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 28.98 1ctj h GLU 48 CO -0.24 0.52 -0.39 0.00 -0.00 0.00 0.00 179.01 178.90 1ctj h ALA 49 N 1.53 1.10 -0.08 1.06 0.00 -1.70 -0.92 119.26 120.24 1ctj h ALA 49 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ctj h ALA 49 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ctj h ALA 49 CO 0.01 0.58 -0.04 0.82 0.00 0.00 0.00 179.25 180.63 1ctj h ILE 50 N 0.24 1.32 -0.30 0.00 2.04 -0.85 -2.51 117.51 117.44 1ctj h ILE 50 Ca 0.02 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 64.93 1ctj h ILE 50 Cb 0.80 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 38.63 1ctj h ILE 50 CO 0.06 0.29 -0.25 0.58 0.00 0.00 0.00 178.15 178.83 1ctj h VAL 51 N -0.19 0.36 -0.66 1.67 2.07 -0.88 -1.06 116.25 117.56 1ctj h VAL 51 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1ctj h VAL 51 Cb 0.47 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1ctj h VAL 51 CO 0.01 0.00 0.27 0.22 0.02 0.00 0.00 177.57 178.09 1ctj h TYR 52 N -0.23 0.48 0.00 1.57 5.03 -1.06 0.41 116.97 123.17 1ctj h TYR 52 Ca 0.16 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.37 1ctj h TYR 52 Cb 0.47 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 1ctj h TYR 52 CO -0.43 0.13 -0.59 0.37 -1.32 0.00 0.00 178.16 176.31 1ctj h GLN 53 N 0.46 0.00 -0.13 1.82 4.15 -1.10 -1.06 115.11 119.25 1ctj h GLN 53 Ca 0.34 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.75 1ctj h GLN 53 Cb 0.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1ctj h GLN 53 CO -0.31 0.59 0.04 0.82 -1.93 0.00 0.00 178.83 178.04 1ctj h ILE 54 N 0.00 1.17 -0.15 2.39 2.04 -0.60 0.18 117.51 122.54 1ctj h ILE 54 Ca -0.01 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1ctj h ILE 54 Cb 1.13 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1ctj h ILE 54 CO 0.08 0.16 0.06 -0.33 0.00 0.00 0.00 178.15 178.12 1ctj h GLU 55 N 0.04 0.14 -0.00 2.37 5.08 -0.78 0.45 114.58 121.87 1ctj h GLU 55 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ctj h GLU 55 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ctj h GLU 55 CO -0.00 0.09 -0.94 0.09 -1.00 0.00 0.00 179.01 177.25 1ctj n ASN 56 N -5.04 0.96 -1.02 1.42 3.02 -0.42 -2.38 115.26 111.81 1ctj n ASN 56 Ca -0.04 -0.98 0.14 0.00 -0.03 0.00 0.00 54.58 53.67 1ctj n ASN 56 Cb 0.05 0.99 -0.04 0.00 -0.61 0.00 0.00 39.78 40.18 1ctj n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ctj n GLY 57 N 1.47 -1.91 3.53 7.41 0.00 0.05 -4.46 105.19 111.28 1ctj n GLY 57 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1ctj n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ctj s LYS 58 N -2.14 0.47 7.95 1.61 2.20 -0.66 -4.85 119.74 124.33 1ctj s LYS 58 Ca 0.00 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1ctj s LYS 58 Cb 0.00 0.70 0.00 0.00 -1.51 0.00 0.00 37.83 37.02 1ctj s LYS 58 CO 0.00 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1ctj n GLY 59 N 5.29 3.97 0.01 5.54 0.00 -1.26 -0.84 105.19 117.90 1ctj n GLY 59 Ca -0.10 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1ctj n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctj n ALA 60 N 12.35 2.52 -2.65 4.61 0.00 -1.26 -4.71 120.51 131.36 1ctj n ALA 60 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1ctj n ALA 60 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.93 1ctj n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ctj s MET 61 N -2.60 4.22 0.74 0.00 0.00 -0.02 -5.05 119.30 116.59 1ctj s MET 61 Ca 0.27 0.83 -0.13 0.00 0.00 0.00 0.00 55.69 56.67 1ctj s MET 61 Cb 0.20 -3.61 0.04 0.00 0.00 0.00 0.00 34.83 31.47 1ctj s MET 61 CO 0.47 -0.38 1.12 -2.14 0.00 0.00 0.00 175.02 174.09 1ctj s PRO 62 N 2.35 2.31 0.28 4.11 0.02 -1.26 -1.66 135.00 141.15 1ctj s PRO 62 Ca 0.33 1.35 -0.22 0.00 0.02 0.00 0.00 61.00 62.48 1ctj s PRO 62 Cb -0.16 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 1ctj s PRO 62 CO 0.10 -1.63 0.84 0.00 -0.33 0.00 0.00 177.00 175.98 1ctj s ALA 63 N -2.57 3.30 -0.68 -1.55 0.00 -1.26 -4.10 121.76 114.89 1ctj s ALA 63 Ca 0.65 0.34 0.06 0.00 0.00 0.00 0.00 51.96 53.01 1ctj s ALA 63 Cb -0.20 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1ctj s ALA 63 CO 0.50 0.25 0.60 0.91 0.00 0.00 0.00 175.76 178.02 1ctj n TRP 64 N 0.55 0.00 -1.68 0.00 7.02 0.15 -4.90 117.44 118.58 1ctj n TRP 64 Ca 0.00 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.04 1ctj n TRP 64 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.36 1ctj n TRP 64 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1ctj n ASP 65 N 0.03 3.27 0.00 -0.99 2.03 -1.00 -1.44 116.55 118.44 1ctj n ASP 65 Ca 0.03 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1ctj n ASP 65 Cb 0.14 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 1ctj n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ctj n GLY 66 N 3.20 2.96 0.06 0.27 0.00 -1.26 -4.76 105.19 105.66 1ctj n GLY 66 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ctj n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ctj n ARG 67 N -2.00 0.67 -5.02 1.61 1.74 -0.52 -4.89 116.66 108.25 1ctj n ARG 67 Ca 0.00 -0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 1ctj n ARG 67 Cb 0.00 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 29.75 1ctj n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ctj s LEU 68 N -5.04 2.10 0.77 0.55 1.43 -0.98 -5.13 118.68 112.38 1ctj s LEU 68 Ca -0.09 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1ctj s LEU 68 Cb 0.10 -1.21 0.13 0.00 0.03 0.00 0.00 46.19 45.24 1ctj s LEU 68 CO 0.87 0.26 1.07 1.51 0.23 0.00 0.00 176.35 180.29 1ctj s ASP 69 N -0.88 4.19 0.29 2.29 1.47 -1.26 -4.79 116.67 117.98 1ctj s ASP 69 Ca 0.10 0.00 0.01 0.00 1.18 0.00 0.00 52.55 53.83 1ctj s ASP 69 Cb -0.09 -0.38 0.52 0.00 -0.34 0.00 0.00 42.92 42.63 1ctj s ASP 69 CO 0.00 -1.99 1.87 1.05 0.68 0.00 0.00 175.17 176.79 1ctj h GLU 70 N -0.80 1.01 -0.11 2.11 4.11 -2.00 -0.86 114.58 118.04 1ctj h GLU 70 Ca -0.41 -0.06 -0.19 0.00 0.07 0.00 0.00 59.36 58.78 1ctj h GLU 70 Cb 1.27 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ctj h GLU 70 CO 0.45 0.67 -0.70 -0.44 0.07 0.00 0.00 179.01 179.05 1ctj h ASP 71 N 1.04 0.59 -0.44 3.06 3.32 -1.99 -1.20 116.42 120.81 1ctj h ASP 71 Ca 0.44 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1ctj h ASP 71 Cb 0.32 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1ctj h ASP 71 CO -0.20 1.12 0.11 -0.33 -1.72 0.00 0.00 179.24 178.22 1ctj h GLU 72 N 0.35 0.70 -0.22 3.56 5.08 -1.80 -0.07 114.58 122.17 1ctj h GLU 72 Ca -0.03 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1ctj h GLU 72 Cb 1.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ctj h GLU 72 CO 0.13 0.70 -0.05 0.82 -1.00 0.00 0.00 179.01 179.61 1ctj h ILE 73 N 0.57 1.28 -0.86 3.13 2.04 -1.12 -1.15 117.51 121.40 1ctj h ILE 73 Ca 0.14 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1ctj h ILE 73 Cb 0.32 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1ctj h ILE 73 CO 0.00 0.32 0.55 0.00 0.00 0.00 0.00 178.15 179.02 1ctj h ALA 74 N 0.75 1.10 -0.27 1.87 0.00 -1.17 -1.24 119.26 120.30 1ctj h ALA 74 Ca 0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1ctj h ALA 74 Cb 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ctj h ALA 74 CO 0.02 0.53 -0.54 0.78 0.00 0.00 0.00 179.25 180.04 1ctj h GLY 75 N 1.18 0.88 1.55 0.00 0.00 -0.78 -1.51 103.07 104.39 1ctj h GLY 75 Ca 0.31 -1.02 -0.12 0.00 0.00 0.00 0.00 47.33 46.50 1ctj h GLY 75 CO -0.06 0.92 -0.39 -0.24 0.00 0.00 0.00 176.54 176.76 1ctj h VAL 76 N 0.62 1.30 -0.81 4.60 3.04 -1.10 -0.90 116.25 123.00 1ctj h VAL 76 Ca 0.01 -1.54 -0.03 0.00 -1.01 0.00 0.00 66.70 64.13 1ctj h VAL 76 Cb 1.14 1.56 -0.04 0.00 -2.01 0.00 0.00 31.29 31.94 1ctj h VAL 76 CO 0.12 0.48 0.37 0.00 -1.01 0.00 0.00 177.57 177.53 1ctj h ALA 77 N 1.17 1.05 -0.22 3.17 0.00 -1.17 -0.22 119.26 123.04 1ctj h ALA 77 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1ctj h ALA 77 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ctj h ALA 77 CO 0.07 0.63 -0.37 0.00 0.00 0.00 0.00 179.25 179.58 1ctj h ALA 78 N 1.20 0.95 -0.34 0.00 0.00 -0.81 -0.98 119.26 119.28 1ctj h ALA 78 Ca 0.28 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ctj h ALA 78 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ctj h ALA 78 CO -0.03 0.62 0.05 -0.92 0.00 0.00 0.00 179.25 178.97 1ctj h TYR 79 N 0.41 0.60 -0.59 0.00 3.20 -0.81 -0.09 116.97 119.68 1ctj h TYR 79 Ca 0.04 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1ctj h TYR 79 Cb 0.84 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1ctj h TYR 79 CO 0.03 0.63 0.38 0.28 -1.64 0.00 0.00 178.16 177.84 1ctj h VAL 80 N 0.39 1.13 0.14 1.81 2.07 -0.86 -0.68 116.25 120.24 1ctj h VAL 80 Ca 0.10 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1ctj h VAL 80 Cb 0.36 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1ctj h VAL 80 CO 0.01 0.14 -0.22 0.22 0.02 0.00 0.00 177.57 177.74 1ctj h TYR 81 N 0.77 -0.57 -0.79 1.57 5.03 -1.01 -1.33 116.97 120.64 1ctj h TYR 81 Ca 0.22 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 1ctj h TYR 81 Cb -0.06 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 1ctj h TYR 81 CO -0.04 -0.31 0.39 0.22 -1.32 0.00 0.00 178.16 177.10 1ctj h ASP 82 N -0.42 1.01 -0.53 -2.11 3.58 -0.72 0.11 116.42 117.33 1ctj h ASP 82 Ca 0.02 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1ctj h ASP 82 Cb 0.43 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1ctj h ASP 82 CO -0.10 0.85 0.04 1.56 -2.88 0.00 0.00 179.24 178.71 1ctj h GLN 83 N 1.10 0.96 -0.03 0.28 1.08 -0.91 -1.60 115.11 115.99 1ctj h GLN 83 Ca 0.27 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1ctj h GLN 83 Cb 0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1ctj h GLN 83 CO -0.04 0.92 -0.09 0.00 -0.95 0.00 0.00 178.83 178.67 1ctj h ALA 84 N 1.15 0.05 -0.50 3.87 0.00 -0.97 0.79 119.26 123.65 1ctj h ALA 84 Ca 0.17 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ctj h ALA 84 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ctj h ALA 84 CO 0.02 -0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.28 1ctj h ALA 85 N 0.41 1.22 -0.02 0.00 0.00 -0.75 -2.48 119.26 117.63 1ctj h ALA 85 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ctj h ALA 85 Cb 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ctj h ALA 85 CO 0.02 0.53 -0.01 0.41 0.00 0.00 0.00 179.25 180.20 1ctj n GLY 86 N -0.82 0.23 3.50 0.00 0.00 -0.61 -4.95 105.19 102.54 1ctj n GLY 86 Ca 0.03 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 1ctj n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ctj n ASN 87 N 0.44 -3.41 0.00 1.61 3.02 -0.93 -4.91 115.26 111.08 1ctj n ASN 87 Ca 0.17 -0.60 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 1ctj n ASN 87 Cb 0.42 -5.06 -0.03 0.00 -0.61 0.00 0.00 39.78 34.50 1ctj n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ctj n LYS 88 N -4.42 0.08 0.00 3.52 5.02 0.24 -5.05 118.16 117.55 1ctj n LYS 88 Ca -0.19 -0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.14 1ctj n LYS 88 Cb 0.63 -1.51 0.36 0.00 -0.02 0.00 0.00 35.03 34.49 1ctj n LYS 88 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79