#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ced n ALA 2 N 0.00 -1.68 -1.78 0.62 0.00 -1.26 -4.92 120.51 111.49 1ced n ALA 2 Ca 0.00 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 1ced n ALA 2 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 19.45 16.06 1ced n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ced s ASP 3 N -3.87 6.29 0.04 0.00 2.15 -1.26 -4.41 116.67 115.61 1ced s ASP 3 Ca 0.30 2.17 -0.22 0.00 0.43 0.00 0.00 52.55 55.23 1ced s ASP 3 Cb -0.14 -2.59 -0.14 0.00 -0.30 0.00 0.00 42.92 39.74 1ced s ASP 3 CO 0.79 -0.82 1.42 -0.07 -0.17 0.00 0.00 175.17 176.33 1ced h LEU 4 N 2.00 0.22 -0.23 -1.34 4.07 -1.91 0.59 115.31 118.70 1ced h LEU 4 Ca -0.49 -0.37 -0.05 0.00 0.08 0.00 0.00 57.88 57.05 1ced h LEU 4 Cb 1.24 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1ced h LEU 4 CO 0.60 0.54 -0.04 0.00 -1.08 0.00 0.00 178.44 178.46 1ced h ALA 5 N 0.69 0.32 -0.10 1.53 0.00 -1.93 0.36 119.26 120.13 1ced h ALA 5 Ca 0.03 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ced h ALA 5 Cb 0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1ced h ALA 5 CO 0.01 0.09 -0.35 1.25 0.00 0.00 0.00 179.25 180.25 1ced h LEU 6 N 0.18 -1.08 -0.79 0.00 5.85 -1.95 0.12 115.31 117.64 1ced h LEU 6 Ca 0.06 0.15 0.16 0.00 0.84 0.00 0.00 57.88 59.09 1ced h LEU 6 Cb 0.48 0.45 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 1ced h LEU 6 CO 0.02 -0.39 0.29 1.23 -0.34 0.00 0.00 178.44 179.25 1ced h GLY 7 N -0.45 1.20 0.87 3.75 0.00 -0.57 0.15 103.07 108.03 1ced h GLY 7 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1ced h GLY 7 CO -0.35 -0.16 -0.30 1.70 0.00 0.00 0.00 176.54 177.44 1ced h LYS 8 N 0.40 -0.80 -0.83 4.80 3.64 0.41 0.83 116.57 125.02 1ced h LYS 8 Ca 0.45 0.05 0.21 0.00 -1.27 0.00 0.00 60.65 60.09 1ced h LYS 8 Cb 0.74 0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 32.61 1ced h LYS 8 CO -0.46 -0.49 0.12 0.00 -2.27 0.00 0.00 179.45 176.35 1ced h ALA 9 N -0.68 1.05 0.74 5.00 0.00 -0.11 0.18 119.26 125.44 1ced h ALA 9 Ca -0.08 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 9 Cb 0.68 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ced h ALA 9 CO 0.14 -0.45 -0.40 0.28 0.00 0.00 0.00 179.25 178.82 1ced h VAL 10 N 0.16 0.18 -0.33 0.00 2.07 -0.87 -2.82 116.25 114.64 1ced h VAL 10 Ca 0.49 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.05 1ced h VAL 10 Cb 0.94 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1ced h VAL 10 CO -0.67 0.00 -0.53 0.15 0.02 0.00 0.00 177.57 176.53 1ced h PHE 11 N -1.06 -1.62 -0.46 1.57 3.57 0.17 0.20 116.94 119.31 1ced h PHE 11 Ca -0.10 0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1ced h PHE 11 Cb 0.83 0.75 -0.02 0.00 2.79 0.00 0.00 35.95 40.31 1ced h PHE 11 CO -0.06 -0.49 0.34 -0.44 -2.23 0.00 0.00 178.31 175.43 1ced h ASP 12 N -0.43 0.00 0.07 0.41 5.19 -0.86 0.17 116.42 120.98 1ced h ASP 12 Ca 0.06 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.26 1ced h ASP 12 Cb 0.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1ced h ASP 12 CO -0.53 0.00 -1.10 1.23 -3.12 0.00 0.00 179.24 175.72 1ced h GLY 13 N 0.00 0.17 0.00 2.75 0.00 -0.88 -3.41 103.07 101.69 1ced h GLY 13 Ca 0.22 -0.44 -0.29 0.00 0.00 0.00 0.00 47.33 46.82 1ced h GLY 13 CO -0.00 0.38 -2.09 0.70 0.00 0.00 0.00 176.54 175.53 1ced n ASN 14 N -4.17 2.14 -0.11 0.19 3.02 0.56 -4.69 115.26 112.21 1ced n ASN 14 Ca -0.23 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.07 1ced n ASN 14 Cb 0.77 0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.87 1ced n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ced h ALA 16 N -0.21 2.59 -0.99 0.00 0.00 -1.31 0.99 119.26 120.33 1ced h ALA 16 Ca -0.49 0.07 0.30 0.00 0.00 0.00 0.00 54.91 54.79 1ced h ALA 16 Cb 1.66 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.38 1ced h ALA 16 CO -0.14 -1.09 0.11 0.00 0.00 0.00 0.00 179.25 178.14 1ced h ALA 17 N 1.57 1.34 0.00 0.00 0.00 -1.84 0.27 119.26 120.60 1ced h ALA 17 Ca 0.70 0.33 -0.26 0.00 0.00 0.00 0.00 54.91 55.67 1ced h ALA 17 Cb 2.10 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 20.40 1ced h ALA 17 CO -0.31 -0.63 -1.99 0.00 0.00 0.00 0.00 179.25 176.31 1ced n HIS 19 N -2.72 0.49 0.00 0.00 8.25 -0.06 -1.31 115.22 119.87 1ced n HIS 19 Ca -0.26 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.46 1ced n HIS 19 Cb 0.91 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1ced n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ced n ALA 20 N -0.38 0.00 -2.70 -1.41 0.00 0.91 0.78 120.51 117.72 1ced n ALA 20 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1ced n ALA 20 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 1ced n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ced n GLY 21 N 0.00 5.88 2.65 0.00 0.00 -1.26 -4.71 105.19 107.75 1ced n GLY 21 Ca 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 46.02 43.33 1ced n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 22 N -0.20 0.31 3.38 -0.02 0.00 0.23 -4.88 105.19 104.02 1ced n GLY 22 Ca 0.40 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.94 1ced n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ced s GLY 23 N -2.10 2.86 -0.82 -0.02 0.00 0.87 -0.62 107.32 107.49 1ced s GLY 23 Ca 0.00 -3.58 -0.22 0.00 0.00 0.00 0.00 44.72 40.92 1ced s GLY 23 CO 0.00 1.55 2.37 -2.01 0.00 0.00 0.00 173.10 175.02 1ced n ASN 24 N 3.89 0.82 -0.10 1.64 2.85 -1.26 -4.01 115.26 119.10 1ced n ASN 24 Ca 0.26 -0.89 0.15 0.00 -0.11 0.00 0.00 54.58 54.00 1ced n ASN 24 Cb 0.42 -1.26 0.84 0.00 1.24 0.00 0.00 39.78 41.02 1ced n ASN 24 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1ced n ASN 25 N 13.72 0.31 -0.10 1.20 0.23 -0.43 -3.30 115.26 126.89 1ced n ASN 25 Ca 0.53 -1.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.43 1ced n ASN 25 Cb 0.33 -0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.94 1ced n ASN 25 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1ced n VAL 26 N -0.80 1.49 -3.70 3.53 0.31 -1.26 -4.65 118.33 113.25 1ced n VAL 26 Ca 0.22 0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 64.19 1ced n VAL 26 Cb 0.17 -2.19 -0.09 0.00 -0.91 0.00 0.00 33.84 30.82 1ced n VAL 26 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ced s ILE 27 N -2.47 3.81 0.24 2.52 1.01 -1.26 -5.03 121.20 120.03 1ced s ILE 27 Ca -0.26 -2.88 -0.09 0.00 0.00 0.00 0.00 60.65 57.41 1ced s ILE 27 Cb 0.06 -3.48 0.37 0.00 0.01 0.00 0.00 42.46 39.42 1ced s ILE 27 CO 0.42 -0.88 1.42 -2.65 0.00 0.00 0.00 174.94 173.25 1ced n PRO 28 N 3.57 -0.11 0.10 2.79 -0.02 -1.21 -1.24 135.00 138.89 1ced n PRO 28 Ca 0.08 1.41 0.12 0.00 -2.02 0.00 0.00 63.50 63.09 1ced n PRO 28 Cb 0.39 -2.11 0.28 0.00 -0.02 0.00 0.00 33.50 32.04 1ced n PRO 28 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1ced h ASP 29 N 0.00 0.00 -0.57 2.55 3.58 -1.96 -3.39 116.42 116.63 1ced h ASP 29 Ca 0.41 -0.07 -0.53 0.00 0.42 0.00 0.00 57.03 57.26 1ced h ASP 29 Cb 0.64 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.60 1ced h ASP 29 CO -0.93 0.03 1.62 1.57 -2.88 0.00 0.00 179.24 178.66 1ced n HIS 30 N -2.33 1.69 -2.66 0.28 -0.00 -0.37 -4.92 115.22 106.90 1ced n HIS 30 Ca 0.04 -2.36 -0.32 0.00 0.46 0.00 0.00 57.72 55.54 1ced n HIS 30 Cb 0.45 -1.84 -0.05 0.00 -0.12 0.00 0.00 29.99 28.43 1ced n HIS 30 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1ced s THR 31 N -0.07 4.49 0.00 3.57 -4.23 -1.26 -4.60 115.64 113.53 1ced s THR 31 Ca 0.62 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 62.44 1ced s THR 31 Cb 0.26 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1ced s THR 31 CO -0.09 -0.48 1.50 0.18 -0.54 0.00 0.00 174.62 175.19 1ced n LEU 32 N -1.05 4.07 -4.39 4.79 4.77 0.20 -4.06 117.00 121.33 1ced n LEU 32 Ca 0.06 -1.86 -0.32 0.00 -0.03 0.00 0.00 56.01 53.87 1ced n LEU 32 Cb 0.54 -0.84 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1ced n LEU 32 CO 0.42 0.76 -0.51 0.00 -1.33 0.00 0.00 177.39 176.72 1ced s GLN 33 N 0.29 2.38 0.01 3.23 -2.07 -1.26 -4.42 119.66 117.83 1ced s GLN 33 Ca 0.00 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.71 1ced s GLN 33 Cb 0.00 -2.24 -0.00 0.00 -1.09 0.00 0.00 33.01 29.68 1ced s GLN 33 CO 0.00 0.56 0.49 1.17 -1.32 0.00 0.00 175.29 176.19 1ced n LYS 34 N 2.46 -0.03 -0.34 9.60 4.81 -1.23 -0.45 118.16 132.98 1ced n LYS 34 Ca -0.17 0.48 0.02 0.00 -0.87 0.00 0.00 58.31 57.78 1ced n LYS 34 Cb 0.52 -0.72 0.09 0.00 0.02 0.00 0.00 35.03 34.93 1ced n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ced h ALA 35 N -0.36 0.42 -0.08 3.14 0.00 -1.95 0.17 119.26 120.60 1ced h ALA 35 Ca 0.01 0.32 -0.24 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 35 Cb 0.03 0.80 0.02 0.00 0.00 0.00 0.00 17.79 18.63 1ced h ALA 35 CO -0.06 -0.48 -0.91 0.00 0.00 0.00 0.00 179.25 177.80 1ced h ALA 36 N 1.68 0.23 -0.34 0.00 0.00 -1.03 -2.87 119.26 116.93 1ced h ALA 36 Ca 0.40 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1ced h ALA 36 Cb 0.64 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1ced h ALA 36 CO -0.94 0.69 0.11 0.82 0.00 0.00 0.00 179.25 179.93 1ced h ILE 37 N 0.48 0.90 -0.44 0.00 2.04 0.12 0.35 117.51 120.95 1ced h ILE 37 Ca -0.09 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1ced h ILE 37 Cb 1.55 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1ced h ILE 37 CO 0.18 0.05 0.22 -0.33 0.00 0.00 0.00 178.15 178.26 1ced h GLU 38 N 0.25 0.61 0.50 2.37 5.08 -0.70 0.13 114.58 122.83 1ced h GLU 38 Ca 0.15 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1ced h GLU 38 Cb 0.13 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ced h GLU 38 CO -0.16 0.48 -0.24 1.96 -1.00 0.00 0.00 179.01 180.05 1ced h GLN 39 N 0.62 -0.64 0.16 2.33 1.08 -1.19 -3.42 115.11 114.05 1ced h GLN 39 Ca 0.16 0.04 -0.34 0.00 -1.45 0.00 0.00 58.65 57.06 1ced h GLN 39 Cb 0.06 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1ced h GLN 39 CO -0.02 -0.38 -1.71 0.74 -0.95 0.00 0.00 178.83 176.50 1ced h PHE 40 N -1.13 0.62 -2.02 2.96 0.04 -0.62 -3.47 116.94 113.32 1ced h PHE 40 Ca -0.07 -0.45 -0.62 0.00 2.80 0.00 0.00 57.97 59.63 1ced h PHE 40 Cb 0.56 -0.02 0.03 0.00 2.20 0.00 0.00 35.95 38.72 1ced h PHE 40 CO 0.01 1.67 0.95 -0.11 -0.60 0.00 0.00 178.31 180.23 1ced n LEU 41 N -3.66 3.12 -0.32 1.54 7.94 0.43 -4.83 117.00 121.21 1ced n LEU 41 Ca -0.26 1.02 0.14 0.00 -1.11 0.00 0.00 56.01 55.80 1ced n LEU 41 Cb 1.03 -1.35 0.36 0.00 0.53 0.00 0.00 43.42 43.99 1ced n LEU 41 CO 0.47 -0.22 1.21 0.44 -1.11 0.00 0.00 177.39 178.18 1ced h ASP 42 N 7.80 0.71 -0.31 1.96 5.19 -1.90 0.35 116.42 130.23 1ced h ASP 42 Ca -0.47 0.07 -0.14 0.00 -0.62 0.00 0.00 57.03 55.88 1ced h ASP 42 Cb 1.28 -0.06 -0.08 0.00 0.18 0.00 0.00 39.33 40.65 1ced h ASP 42 CO 0.92 0.28 -0.08 0.61 -3.12 0.00 0.00 179.24 177.85 1ced n GLY 43 N -1.38 4.77 0.70 2.75 0.00 -1.26 -5.10 105.19 105.67 1ced n GLY 43 Ca 0.21 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 45.13 1ced n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 44 N -1.04 -1.75 3.37 -0.02 0.00 0.11 -4.36 105.19 101.49 1ced n GLY 44 Ca 0.30 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1ced n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ced n PHE 45 N -2.78 2.59 -4.11 1.61 7.35 -1.26 -4.71 117.46 116.15 1ced n PHE 45 Ca -0.00 -1.76 -0.14 0.00 -0.76 0.00 0.00 57.45 54.79 1ced n PHE 45 Cb 0.32 -2.27 -0.12 0.00 0.35 0.00 0.00 39.48 37.76 1ced n PHE 45 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1ced s ASN 46 N 5.61 0.89 0.07 -2.13 0.01 -1.26 -5.07 114.94 113.07 1ced s ASN 46 Ca 0.62 -0.44 -0.24 0.00 -0.71 0.00 0.00 52.86 52.09 1ced s ASN 46 Cb 0.06 -0.00 -0.16 0.00 0.41 0.00 0.00 41.25 41.56 1ced s ASN 46 CO 0.12 -0.12 1.65 0.40 -1.51 0.00 0.00 177.10 177.63 1ced h ILE 47 N 4.60 0.98 -0.97 0.60 1.08 -1.95 -0.89 117.51 120.97 1ced h ILE 47 Ca -0.34 -0.18 0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1ced h ILE 47 Cb 1.20 1.10 -0.12 0.00 -3.07 0.00 0.00 36.82 35.92 1ced h ILE 47 CO 0.43 0.04 -0.54 -0.62 -0.69 0.00 0.00 178.15 176.78 1ced n GLU 48 N -5.09 -0.39 -0.01 2.37 4.71 -1.26 -0.33 120.64 120.63 1ced n GLU 48 Ca -0.08 1.47 -0.09 0.00 -0.01 0.00 0.00 57.16 58.45 1ced n GLU 48 Cb 0.10 -2.16 -0.04 0.00 -1.01 0.00 0.00 31.44 28.33 1ced n GLU 48 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ced h ALA 49 N 0.64 0.06 0.35 0.62 0.00 -1.72 0.11 119.26 119.32 1ced h ALA 49 Ca 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ced h ALA 49 Cb 0.43 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ced h ALA 49 CO -0.92 -0.51 -0.51 0.82 0.00 0.00 0.00 179.25 178.13 1ced h ILE 50 N -0.04 0.02 -0.34 0.00 1.08 -0.16 -1.63 117.51 116.43 1ced h ILE 50 Ca 0.08 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 1ced h ILE 50 Cb 0.16 0.02 -0.08 0.00 -3.07 0.00 0.00 36.82 33.85 1ced h ILE 50 CO -0.17 0.00 -0.22 0.58 -0.69 0.00 0.00 178.15 177.65 1ced h VAL 51 N -0.90 0.39 -0.85 1.67 2.07 -0.41 0.85 116.25 119.08 1ced h VAL 51 Ca -0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.66 1ced h VAL 51 Cb 0.82 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 1ced h VAL 51 CO -0.15 0.00 0.39 0.22 0.02 0.00 0.00 177.57 178.05 1ced h TYR 52 N -0.18 0.66 0.82 1.57 3.20 -0.66 0.19 116.97 122.57 1ced h TYR 52 Ca 0.17 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1ced h TYR 52 Cb 0.45 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1ced h TYR 52 CO -0.43 0.05 -0.46 0.37 -1.64 0.00 0.00 178.16 176.05 1ced h GLN 53 N 0.48 -1.15 -0.36 1.82 5.75 0.15 0.11 115.11 121.92 1ced h GLN 53 Ca 0.50 0.08 0.06 0.00 -0.15 0.00 0.00 58.65 59.13 1ced h GLN 53 Cb 0.84 0.26 -0.05 0.00 1.07 0.00 0.00 27.48 29.60 1ced h GLN 53 CO -0.45 -0.76 0.07 0.82 -2.65 0.00 0.00 178.83 175.86 1ced h ILE 54 N -1.19 0.81 0.28 2.39 5.03 -0.81 0.36 117.51 124.39 1ced h ILE 54 Ca -0.11 -0.07 -0.01 0.00 -0.12 0.00 0.00 64.86 64.56 1ced h ILE 54 Cb 0.94 0.60 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 1ced h ILE 54 CO 0.14 0.03 -0.26 -0.08 -0.68 0.00 0.00 178.15 177.30 1ced h GLU 55 N 0.19 -0.51 0.00 2.37 4.81 -0.54 -0.02 114.58 120.88 1ced h GLU 55 Ca 0.17 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1ced h GLU 55 Cb 0.20 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1ced h GLU 55 CO -0.23 -0.34 -0.71 -0.91 -0.73 0.00 0.00 179.01 176.09 1ced h ASN 56 N -0.53 0.00 -4.01 1.04 2.35 -0.86 -1.52 115.58 112.05 1ced h ASN 56 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ced h ASN 56 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1ced h ASN 56 CO -0.02 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 1ced n GLY 57 N 1.23 -2.53 2.27 2.83 0.00 0.11 -4.45 105.19 104.65 1ced n GLY 57 Ca -0.01 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1ced n GLY 57 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ced n LYS 58 N -2.00 0.54 -1.72 1.61 3.00 -0.07 -4.87 118.16 114.65 1ced n LYS 58 Ca 0.00 -1.71 -0.60 0.00 -0.00 0.00 0.00 58.31 55.99 1ced n LYS 58 Cb 0.00 1.77 -0.08 0.00 0.00 0.00 0.00 35.03 36.72 1ced n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ced n GLY 59 N -0.37 0.68 3.63 3.14 0.00 -1.26 -0.74 105.19 110.27 1ced n GLY 59 Ca -0.01 0.95 -0.23 0.00 0.00 0.00 0.00 46.02 46.73 1ced n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ced n ALA 60 N 5.01 -1.36 -3.61 4.61 0.00 -1.26 -4.93 120.51 118.97 1ced n ALA 60 Ca 0.28 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1ced n ALA 60 Cb 0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 1ced n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ced s MET 61 N -5.61 0.05 0.36 0.00 0.00 0.08 -5.04 119.30 109.15 1ced s MET 61 Ca 0.19 -0.01 -0.25 0.00 0.00 0.00 0.00 55.69 55.62 1ced s MET 61 Cb -0.11 -1.65 -0.13 0.00 0.00 0.00 0.00 34.83 32.94 1ced s MET 61 CO 0.66 -0.63 0.87 -2.30 0.00 0.00 0.00 175.02 173.63 1ced n PRO 62 N 5.28 1.09 -2.53 4.11 -0.02 -1.26 -0.89 135.00 140.78 1ced n PRO 62 Ca -0.06 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1ced n PRO 62 Cb 0.49 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 1ced n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ced s ALA 63 N -1.22 3.29 -0.93 3.55 0.00 -1.26 -4.38 121.76 120.82 1ced s ALA 63 Ca 0.61 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.46 1ced s ALA 63 Cb -0.64 -3.29 0.17 0.00 0.00 0.00 0.00 23.12 19.36 1ced s ALA 63 CO 0.58 -0.13 1.03 0.91 0.00 0.00 0.00 175.76 178.16 1ced n TRP 64 N 0.82 0.22 -1.71 0.00 7.02 -0.02 -4.89 117.44 118.87 1ced n TRP 64 Ca 0.01 -0.29 -0.61 0.00 -1.02 0.00 0.00 57.50 55.59 1ced n TRP 64 Cb 0.47 -0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 29.26 1ced n TRP 64 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1ced n ASP 65 N 0.41 1.80 0.00 -0.99 5.75 -0.92 -1.02 116.55 121.58 1ced n ASP 65 Ca 0.08 1.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.98 1ced n ASP 65 Cb 0.32 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1ced n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ced n GLY 66 N 3.87 1.71 0.17 6.12 0.00 -1.26 -4.69 105.19 111.11 1ced n GLY 66 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1ced n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ced h ARG 67 N 0.77 0.56 -6.14 1.61 3.08 -1.44 -3.43 114.38 109.38 1ced h ARG 67 Ca 0.00 -0.66 -0.64 0.00 0.07 0.00 0.00 59.98 58.75 1ced h ARG 67 Cb 0.00 0.20 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 1ced h ARG 67 CO 0.00 1.26 -0.59 -0.51 -1.07 0.00 0.00 179.97 179.06 1ced s LEU 68 N -7.85 3.84 1.04 3.04 1.43 -0.91 -5.13 118.68 114.14 1ced s LEU 68 Ca -0.08 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1ced s LEU 68 Cb 0.07 -2.48 0.21 0.00 0.03 0.00 0.00 46.19 44.02 1ced s LEU 68 CO 0.90 0.19 1.08 -0.62 0.23 0.00 0.00 176.35 178.13 1ced s ASP 69 N -2.31 2.26 0.09 2.29 -1.08 -1.26 -4.76 116.67 111.90 1ced s ASP 69 Ca 0.29 1.23 -0.21 0.00 -0.52 0.00 0.00 52.55 53.33 1ced s ASP 69 Cb -0.12 -1.91 -0.11 0.00 -1.46 0.00 0.00 42.92 39.31 1ced s ASP 69 CO 0.21 -3.37 1.68 -0.33 0.52 0.00 0.00 175.17 173.88 1ced h GLU 70 N -2.05 0.17 -0.33 4.34 5.08 -1.98 0.13 114.58 119.93 1ced h GLU 70 Ca -0.56 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 1ced h GLU 70 Cb 1.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1ced h GLU 70 CO 0.56 0.20 0.04 0.22 -1.00 0.00 0.00 179.01 179.04 1ced h ASP 71 N 0.09 0.54 0.44 1.42 1.82 -1.98 -0.21 116.42 118.52 1ced h ASP 71 Ca 0.04 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1ced h ASP 71 Cb 0.09 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 39.93 1ced h ASP 71 CO -0.01 0.67 -0.51 -0.08 -1.61 0.00 0.00 179.24 177.70 1ced h GLU 72 N 0.38 -0.93 -0.69 0.28 4.81 -1.91 0.32 114.58 116.84 1ced h GLU 72 Ca 0.10 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1ced h GLU 72 Cb 0.37 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 29.85 1ced h GLU 72 CO 0.01 -0.62 -0.46 0.82 -0.73 0.00 0.00 179.01 178.03 1ced h ILE 73 N -0.97 0.06 -0.64 2.32 1.08 -0.69 0.13 117.51 118.80 1ced h ILE 73 Ca -0.05 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 1ced h ILE 73 Cb 0.86 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1ced h ILE 73 CO -0.10 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 177.78 1ced h ALA 74 N 0.68 1.78 -0.04 1.87 0.00 -0.54 -0.71 119.26 122.29 1ced h ALA 74 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ced h ALA 74 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ced h ALA 74 CO -0.76 0.12 -0.08 0.78 0.00 0.00 0.00 179.25 179.32 1ced h GLY 75 N 0.64 0.13 1.00 0.00 0.00 0.18 -0.13 103.07 104.89 1ced h GLY 75 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ced h GLY 75 CO -0.08 0.14 0.42 -0.24 0.00 0.00 0.00 176.54 176.77 1ced h VAL 76 N -0.40 1.18 0.34 4.60 3.04 -0.53 0.16 116.25 124.63 1ced h VAL 76 Ca 0.00 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1ced h VAL 76 Cb 0.65 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.15 1ced h VAL 76 CO 0.02 0.17 -0.32 0.00 -1.01 0.00 0.00 177.57 176.43 1ced h ALA 77 N 1.23 -0.70 -0.49 3.17 0.00 -1.09 -0.32 119.26 121.06 1ced h ALA 77 Ca 0.24 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1ced h ALA 77 Cb -0.08 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1ced h ALA 77 CO -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 179.25 178.28 1ced h ALA 78 N -0.18 0.47 0.41 0.00 0.00 -0.55 0.10 119.26 119.51 1ced h ALA 78 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ced h ALA 78 Cb 0.62 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ced h ALA 78 CO -0.05 -0.38 -0.27 -0.92 0.00 0.00 0.00 179.25 177.63 1ced h TYR 79 N 0.12 -0.71 -0.65 0.00 3.20 -0.56 0.54 116.97 118.92 1ced h TYR 79 Ca 0.25 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.24 1ced h TYR 79 Cb 0.37 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 1ced h TYR 79 CO -0.30 -0.41 0.10 0.28 -1.64 0.00 0.00 178.16 176.19 1ced h VAL 80 N -0.65 0.55 0.13 1.81 2.07 -0.71 0.13 116.25 119.57 1ced h VAL 80 Ca -0.04 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1ced h VAL 80 Cb 0.55 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1ced h VAL 80 CO 0.03 0.04 -0.21 0.22 0.02 0.00 0.00 177.57 177.67 1ced h TYR 81 N 0.21 -0.56 0.43 1.57 5.03 -0.17 0.15 116.97 123.64 1ced h TYR 81 Ca 0.35 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.66 1ced h TYR 81 Cb 0.56 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.04 1ced h TYR 81 CO -0.29 -0.31 -0.48 0.22 -1.32 0.00 0.00 178.16 175.98 1ced h ASP 82 N -0.41 -1.33 -0.76 -2.11 3.58 -0.21 0.24 116.42 115.44 1ced h ASP 82 Ca 0.02 0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.70 1ced h ASP 82 Cb 0.42 0.45 -0.08 0.00 1.72 0.00 0.00 39.33 41.83 1ced h ASP 82 CO -0.10 -0.63 0.36 -0.61 -2.88 0.00 0.00 179.24 175.38 1ced h GLN 83 N -0.93 0.54 -0.04 0.28 5.75 -0.68 -2.11 115.11 117.93 1ced h GLN 83 Ca -0.05 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 1ced h GLN 83 Cb 0.83 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1ced h GLN 83 CO -0.09 0.36 -0.11 0.00 -2.65 0.00 0.00 178.83 176.34 1ced h ALA 84 N 1.50 0.07 -0.16 3.38 0.00 -0.59 0.52 119.26 123.97 1ced h ALA 84 Ca 0.40 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 84 Cb 0.51 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1ced h ALA 84 CO -0.33 -0.05 -0.15 0.00 0.00 0.00 0.00 179.25 178.73 1ced h ALA 85 N 0.43 -0.03 -0.00 0.00 0.00 0.13 0.11 119.26 119.89 1ced h ALA 85 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 85 Cb 0.72 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ced h ALA 85 CO 0.02 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.10 1ced n GLY 86 N -1.30 -0.97 4.09 0.00 0.00 -0.89 -4.90 105.19 101.22 1ced n GLY 86 Ca -0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1ced n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ced n ASN 87 N -0.80 -2.22 -0.77 1.61 5.15 0.37 -4.85 115.26 113.74 1ced n ASN 87 Ca 0.16 -1.19 0.05 0.00 -0.60 0.00 0.00 54.58 53.00 1ced n ASN 87 Cb 0.08 -1.44 0.16 0.00 -0.53 0.00 0.00 39.78 38.05 1ced n ASN 87 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ced n LYS 88 N -4.58 2.06 0.00 1.20 5.02 0.17 -5.02 118.16 117.01 1ced n LYS 88 Ca -0.17 -1.31 0.05 0.00 -2.02 0.00 0.00 58.31 54.87 1ced n LYS 88 Cb 0.55 -1.42 0.29 0.00 -0.02 0.00 0.00 35.03 34.43 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79