#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 0.00 -2.37 0.62 0.00 -1.26 -4.83 120.51 112.67 1ced n ALA 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ced n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.49 5.85 0.41 0.00 -1.08 -1.26 -4.82 116.67 114.27 1ced s ASP 3 Ca 0.00 -0.18 0.20 0.00 -0.52 0.00 0.00 52.55 52.05 1ced s ASP 3 Cb 0.00 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.76 1ced s ASP 3 CO 0.00 -2.03 1.82 -0.07 0.52 0.00 0.00 175.17 175.41 1ced h LEU 4 N 14.23 0.00 0.04 -1.34 3.38 -1.88 -0.49 115.31 129.25 1ced h LEU 4 Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1ced h LEU 4 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1ced h LEU 4 CO 1.26 0.32 -0.34 0.00 0.09 0.00 0.00 178.44 179.77 1ced h ALA 5 N 1.68 -0.01 0.38 1.53 0.00 -1.95 0.22 119.26 121.12 1ced h ALA 5 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1ced h ALA 5 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ced h ALA 5 CO 0.04 0.15 -0.34 1.25 0.00 0.00 0.00 179.25 180.35 1ced h LEU 6 N -0.60 -0.89 -0.66 0.00 5.85 -1.95 0.83 115.31 117.89 1ced h LEU 6 Ca -0.05 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1ced h LEU 6 Cb 1.18 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1ced h LEU 6 CO 0.06 -0.48 0.29 1.23 -0.34 0.00 0.00 178.44 179.20 1ced h GLY 7 N -0.73 0.96 0.82 3.75 0.00 -1.13 -0.36 103.07 106.38 1ced h GLY 7 Ca -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1ced h GLY 7 CO -0.04 0.01 -0.25 1.70 0.00 0.00 0.00 176.54 177.96 1ced h LYS 8 N 0.49 -0.57 -0.72 4.80 3.64 -0.36 0.95 116.57 124.80 1ced h LYS 8 Ca 0.33 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.91 1ced h LYS 8 Cb 0.38 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.22 1ced h LYS 8 CO -0.29 -0.38 0.15 0.00 -2.27 0.00 0.00 179.45 176.66 1ced h ALA 9 N 0.00 0.91 0.44 5.00 0.00 0.19 0.23 119.26 126.04 1ced h ALA 9 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 9 Cb 0.51 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ced h ALA 9 CO 0.01 -0.35 -0.21 0.28 0.00 0.00 0.00 179.25 178.97 1ced h VAL 10 N 0.24 0.57 -0.19 0.00 2.07 -0.93 -2.97 116.25 115.04 1ced h VAL 10 Ca 0.41 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.91 1ced h VAL 10 Cb 0.69 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1ced h VAL 10 CO -0.52 0.01 -0.51 0.15 0.02 0.00 0.00 177.57 176.72 1ced h PHE 11 N -0.62 -1.50 -0.96 1.57 3.57 0.11 0.12 116.94 119.22 1ced h PHE 11 Ca -0.06 0.06 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1ced h PHE 11 Cb 0.47 0.68 -0.14 0.00 2.79 0.00 0.00 35.95 39.75 1ced h PHE 11 CO -0.04 -0.52 0.48 -0.44 -2.23 0.00 0.00 178.31 175.57 1ced h ASP 12 N -0.52 0.43 0.07 0.41 5.19 -0.70 0.23 116.42 121.53 1ced h ASP 12 Ca 0.06 0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.52 1ced h ASP 12 Cb 0.65 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1ced h ASP 12 CO -0.46 -0.05 -0.56 1.23 -3.12 0.00 0.00 179.24 176.28 1ced h GLY 13 N 0.39 0.16 0.00 2.75 0.00 -1.07 -3.40 103.07 101.89 1ced h GLY 13 Ca 0.65 -0.41 -0.35 0.00 0.00 0.00 0.00 47.33 47.22 1ced h GLY 13 CO -0.57 0.36 -2.33 0.70 0.00 0.00 0.00 176.54 174.70 1ced n ASN 14 N -4.34 0.99 -0.06 0.19 3.02 0.30 -4.65 115.26 110.71 1ced n ASN 14 Ca -0.15 -0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.24 1ced n ASN 14 Cb 0.67 0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 40.27 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 -0.31 2.72 -0.91 0.00 0.00 -1.20 0.10 119.26 119.66 1ced h ALA 16 Ca -0.29 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.88 1ced h ALA 16 Cb 1.30 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 1ced h ALA 16 CO -0.14 -1.05 0.07 0.00 0.00 0.00 0.00 179.25 178.13 1ced n ALA 17 N -2.65 0.52 -0.07 0.00 0.00 -1.26 -0.14 120.51 116.90 1ced n ALA 17 Ca 0.23 0.97 -0.08 0.00 0.00 0.00 0.00 53.44 54.56 1ced n ALA 17 Cb 1.02 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 1ced n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ced n HIS 19 N -2.65 1.16 -0.71 0.00 8.25 -0.12 -1.81 115.22 119.33 1ced n HIS 19 Ca -0.25 -1.18 -0.28 0.00 -0.26 0.00 0.00 57.72 55.75 1ced n HIS 19 Cb 0.93 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.73 -0.67 -0.45 -1.41 0.00 0.80 -0.36 120.51 117.68 1ced n ALA 20 Ca 0.28 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1ced n ALA 20 Cb 1.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 1.55 1.51 1.89 0.00 0.00 -1.26 -1.27 105.19 107.61 1ced n GLY 21 Ca 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 3.40 3.21 -0.02 0.00 -0.90 -4.95 105.19 105.93 1ced n GLY 22 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.21 2.75 -0.76 -0.02 0.00 0.51 -0.80 107.32 105.79 1ced s GLY 23 Ca 0.37 -3.46 -0.31 0.00 0.00 0.00 0.00 44.72 41.33 1ced s GLY 23 CO -0.06 1.20 2.53 0.70 0.00 0.00 0.00 173.10 177.48 1ced n ASN 24 N 3.38 1.10 0.08 1.64 4.13 -1.26 -3.70 115.26 120.64 1ced n ASN 24 Ca 0.14 0.02 -0.09 0.00 1.68 0.00 0.00 54.58 56.34 1ced n ASN 24 Cb 0.41 -1.15 0.02 0.00 -1.54 0.00 0.00 39.78 37.52 1ced n ASN 24 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1ced h ASN 25 N 14.17 0.31 0.28 6.41 7.08 -1.70 -3.30 115.58 138.83 1ced h ASN 25 Ca -0.13 -0.23 -0.01 0.00 -3.08 0.00 0.00 56.30 52.84 1ced h ASN 25 Cb 1.31 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 1ced h ASN 25 CO 1.27 1.00 -0.13 0.58 -2.08 0.00 0.00 177.43 178.06 1ced h VAL 26 N 0.15 0.75 -3.43 6.14 2.07 -1.87 -3.37 116.25 116.69 1ced h VAL 26 Ca -0.04 -0.61 -0.65 0.00 0.82 0.00 0.00 66.70 66.22 1ced h VAL 26 Cb 1.41 1.07 -0.40 0.00 -1.52 0.00 0.00 31.29 31.85 1ced h VAL 26 CO 0.13 0.12 -0.58 -0.63 0.02 0.00 0.00 177.57 176.63 1ced s ILE 27 N -4.70 2.80 0.34 4.57 1.01 -1.26 -5.03 121.20 118.93 1ced s ILE 27 Ca -0.14 -3.18 0.15 0.00 0.00 0.00 0.00 60.65 57.47 1ced s ILE 27 Cb 0.02 -2.92 0.34 0.00 0.01 0.00 0.00 42.46 39.91 1ced s ILE 27 CO 0.56 -0.80 1.63 -0.65 0.00 0.00 0.00 174.94 175.68 1ced h PRO 28 N 6.68 0.18 0.00 2.79 0.11 -1.73 -0.72 132.00 139.31 1ced h PRO 28 Ca -0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1ced h PRO 28 Cb 0.91 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1ced h PRO 28 CO 0.68 0.12 -1.04 0.38 -0.21 0.00 0.00 178.00 177.93 1ced h ASP 29 N 0.19 0.00 -0.34 -2.05 2.03 -1.96 -3.40 116.42 110.89 1ced h ASP 29 Ca 0.75 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.82 1ced h ASP 29 Cb 1.79 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 40.20 1ced h ASP 29 CO -0.68 0.14 0.14 1.57 -1.03 0.00 0.00 179.24 179.38 1ced n HIS 30 N -2.76 0.80 -1.17 4.15 -0.00 -0.28 -4.88 115.22 111.09 1ced n HIS 30 Ca -0.02 -1.58 -0.29 0.00 0.46 0.00 0.00 57.72 56.29 1ced n HIS 30 Cb 0.62 -0.99 0.18 0.00 -0.12 0.00 0.00 29.99 29.68 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 -1.00 2.07 -0.12 3.57 -4.23 -1.26 -4.78 115.64 109.89 1ced s THR 31 Ca 0.32 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1ced s THR 31 Cb 0.20 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1ced s THR 31 CO -0.04 -0.03 0.84 0.18 -0.54 0.00 0.00 174.62 175.04 1ced n LEU 32 N -4.18 2.47 -4.90 4.79 4.77 0.02 -4.29 117.00 115.69 1ced n LEU 32 Ca 0.05 -1.24 -0.29 0.00 -0.03 0.00 0.00 56.01 54.51 1ced n LEU 32 Cb 0.57 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1ced n LEU 32 CO 0.57 0.42 0.61 -1.10 -1.33 0.00 0.00 177.39 176.57 1ced s GLN 33 N -0.03 3.20 0.07 3.23 -1.52 -1.26 -4.55 119.66 118.80 1ced s GLN 33 Ca 0.00 0.33 -0.31 0.00 -1.95 0.00 0.00 55.36 53.43 1ced s GLN 33 Cb 0.00 -2.19 -0.16 0.00 -0.22 0.00 0.00 33.01 30.44 1ced s GLN 33 CO 0.00 -0.64 1.48 -0.22 -0.25 0.00 0.00 175.29 175.66 1ced h LYS 34 N -0.24 -0.93 -0.86 2.91 3.64 -1.90 0.12 116.57 119.32 1ced h LYS 34 Ca -0.45 0.06 0.21 0.00 -1.27 0.00 0.00 60.65 59.20 1ced h LYS 34 Cb 1.23 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 33.21 1ced h LYS 34 CO 0.62 -0.62 0.59 0.00 -2.27 0.00 0.00 179.45 177.77 1ced h ALA 35 N -1.16 2.41 0.03 5.00 0.00 -1.94 0.13 119.26 123.72 1ced h ALA 35 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1ced h ALA 35 Cb 0.80 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ced h ALA 35 CO 0.02 -0.68 -0.67 0.00 0.00 0.00 0.00 179.25 177.93 1ced h ALA 36 N 1.61 0.04 -0.04 0.00 0.00 -1.66 -1.87 119.26 117.34 1ced h ALA 36 Ca 0.43 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ced h ALA 36 Cb 1.30 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1ced h ALA 36 CO -0.11 0.37 -0.29 0.82 0.00 0.00 0.00 179.25 180.04 1ced h ILE 37 N -0.15 0.35 -0.08 0.00 2.04 -0.13 0.11 117.51 119.66 1ced h ILE 37 Ca -0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1ced h ILE 37 Cb 1.40 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1ced h ILE 37 CO 0.13 0.00 -0.14 -0.33 0.00 0.00 0.00 178.15 177.81 1ced h GLU 38 N -0.42 0.12 0.24 2.37 5.08 -0.70 0.29 114.58 121.57 1ced h GLU 38 Ca 0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ced h GLU 38 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ced h GLU 38 CO -0.27 0.27 -0.12 1.96 -1.00 0.00 0.00 179.01 179.85 1ced h GLN 39 N 0.12 -0.31 0.14 2.33 4.20 -1.22 -3.43 115.11 116.94 1ced h GLN 39 Ca 0.02 0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.43 1ced h GLN 39 Cb 0.32 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ced h GLN 39 CO 0.02 -0.21 -1.65 0.74 -0.67 0.00 0.00 178.83 177.06 1ced h PHE 40 N -0.61 0.55 -1.85 2.96 0.04 -0.28 -3.44 116.94 114.30 1ced h PHE 40 Ca -0.03 -0.40 -0.51 0.00 2.80 0.00 0.00 57.97 59.83 1ced h PHE 40 Cb 0.25 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1ced h PHE 40 CO 0.05 1.51 1.53 -1.17 -0.60 0.00 0.00 178.31 179.62 1ced s LEU 41 N -7.08 3.41 0.01 1.54 1.98 0.99 -4.90 118.68 114.63 1ced s LEU 41 Ca -0.12 1.19 -0.01 0.00 -2.89 0.00 0.00 54.13 52.30 1ced s LEU 41 Cb 0.06 -2.84 -0.00 0.00 0.66 0.00 0.00 46.19 44.06 1ced s LEU 41 CO 0.85 -2.49 0.27 -0.90 -1.89 0.00 0.00 176.35 172.20 1ced n ASP 42 N 13.96 -0.05 0.00 3.68 5.68 -1.26 -0.45 116.55 138.11 1ced n ASP 42 Ca 0.32 0.28 0.13 0.00 -0.50 0.00 0.00 54.79 55.02 1ced n ASP 42 Cb 0.51 -0.11 0.59 0.00 -1.14 0.00 0.00 41.12 40.97 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ced n GLY 43 N -1.01 -1.34 2.75 6.12 0.00 -1.26 -5.03 105.19 105.42 1ced n GLY 43 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.13 -2.25 3.01 -0.02 0.00 0.41 -4.67 105.19 102.81 1ced n GLY 44 Ca 0.08 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.13 2.51 -3.81 1.61 7.35 -1.26 -4.62 117.46 119.10 1ced n PHE 45 Ca 0.00 -2.19 -0.11 0.00 -0.76 0.00 0.00 57.45 54.39 1ced n PHE 45 Cb 0.00 -2.04 -0.08 0.00 0.35 0.00 0.00 39.48 37.71 1ced n PHE 45 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ced s ASN 46 N 4.47 -0.04 0.21 -2.13 2.20 -1.26 -5.05 114.94 113.34 1ced s ASN 46 Ca 0.55 -0.22 -0.10 0.00 -0.94 0.00 0.00 52.86 52.15 1ced s ASN 46 Cb 0.13 0.29 0.28 0.00 -2.00 0.00 0.00 41.25 39.96 1ced s ASN 46 CO 0.05 -0.52 1.74 0.40 -2.94 0.00 0.00 177.10 175.83 1ced h ILE 47 N 3.61 0.75 0.16 0.54 1.08 -1.95 -1.51 117.51 120.19 1ced h ILE 47 Ca -0.31 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 1ced h ILE 47 Cb 1.19 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 1ced h ILE 47 CO 0.45 0.07 -0.52 -0.33 -0.69 0.00 0.00 178.15 177.13 1ced h GLU 48 N 0.38 -0.75 -0.37 2.37 3.07 -1.97 0.16 114.58 117.48 1ced h GLU 48 Ca 0.31 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.30 1ced h GLU 48 Cb 0.39 0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 28.40 1ced h GLU 48 CO -0.32 -0.50 -0.13 0.00 -1.40 0.00 0.00 179.01 176.66 1ced h ALA 49 N -0.53 0.18 0.36 3.43 0.00 -1.78 0.76 119.26 121.68 1ced h ALA 49 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ced h ALA 49 Cb 0.77 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ced h ALA 49 CO -0.26 -0.50 -0.39 0.82 0.00 0.00 0.00 179.25 178.92 1ced h ILE 50 N -0.05 0.22 -0.24 0.00 1.08 -0.61 -0.29 117.51 117.61 1ced h ILE 50 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 1ced h ILE 50 Cb 0.33 0.22 -0.07 0.00 -3.07 0.00 0.00 36.82 34.23 1ced h ILE 50 CO -0.41 0.00 -0.21 0.58 -0.69 0.00 0.00 178.15 177.41 1ced h VAL 51 N -0.78 0.44 -0.90 1.67 2.07 -0.35 0.38 116.25 118.79 1ced h VAL 51 Ca -0.03 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.68 1ced h VAL 51 Cb 0.70 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 1ced h VAL 51 CO -0.08 0.00 0.46 0.22 0.02 0.00 0.00 177.57 178.19 1ced h TYR 52 N -0.22 0.79 0.69 1.57 3.20 -0.66 0.25 116.97 122.59 1ced h TYR 52 Ca 0.14 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1ced h TYR 52 Cb 0.42 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1ced h TYR 52 CO -0.37 0.10 -0.39 0.37 -1.64 0.00 0.00 178.16 176.24 1ced h GLN 53 N 0.56 -0.96 -0.43 1.82 5.75 0.87 -0.13 115.11 122.59 1ced h GLN 53 Ca 0.52 0.07 0.04 0.00 -0.15 0.00 0.00 58.65 59.13 1ced h GLN 53 Cb 0.87 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.59 1ced h GLN 53 CO -0.43 -0.64 0.19 0.82 -2.65 0.00 0.00 178.83 176.12 1ced h ILE 54 N -1.00 0.93 0.37 2.39 5.03 -0.57 0.70 117.51 125.36 1ced h ILE 54 Ca -0.09 -0.13 -0.01 0.00 -0.12 0.00 0.00 64.86 64.51 1ced h ILE 54 Cb 0.79 0.51 -0.02 0.00 -3.03 0.00 0.00 36.82 35.07 1ced h ILE 54 CO 0.11 0.07 -0.38 -0.08 -0.68 0.00 0.00 178.15 177.19 1ced h GLU 55 N 0.39 -0.73 0.00 2.37 4.81 -0.42 -0.21 114.58 120.79 1ced h GLU 55 Ca 0.19 0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.29 1ced h GLU 55 Cb 0.14 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1ced h GLU 55 CO -0.16 -0.49 -1.25 -0.91 -0.73 0.00 0.00 179.01 175.47 1ced h ASN 56 N -0.76 0.00 -3.95 1.04 2.35 -0.87 -0.77 115.58 112.62 1ced h ASN 56 Ca -0.05 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1ced h ASN 56 Cb 0.66 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1ced h ASN 56 CO -0.05 0.68 -0.23 0.61 -1.65 0.00 0.00 177.43 176.80 1ced n GLY 57 N 1.39 -2.91 2.57 2.83 0.00 0.23 -4.42 105.19 104.87 1ced n GLY 57 Ca -0.08 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 1ced n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ced n LYS 58 N -2.11 0.68 -0.26 1.61 4.76 -0.69 -4.87 118.16 117.29 1ced n LYS 58 Ca -0.01 -2.64 -0.02 0.00 -2.87 0.00 0.00 58.31 52.77 1ced n LYS 58 Cb 0.12 1.40 0.00 0.00 -1.84 0.00 0.00 35.03 34.71 1ced n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ced n GLY 59 N -0.03 -1.43 2.47 0.72 0.00 -1.26 -0.91 105.19 104.74 1ced n GLY 59 Ca -0.05 0.74 -0.16 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.62 4.09 -3.69 4.61 0.00 -1.26 -5.02 120.51 115.62 1ced n ALA 60 Ca 0.05 -3.53 -0.23 0.00 0.00 0.00 0.00 53.44 49.73 1ced n ALA 60 Cb 0.24 -0.64 -0.17 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.54 0.24 0.46 0.00 0.00 -0.09 -5.06 119.30 111.30 1ced s MET 61 Ca 0.39 0.10 -0.23 0.00 0.00 0.00 0.00 55.69 55.95 1ced s MET 61 Cb 0.40 -1.13 -0.09 0.00 0.00 0.00 0.00 34.83 34.00 1ced s MET 61 CO -0.04 -0.43 1.01 -2.30 0.00 0.00 0.00 175.02 173.26 1ced n PRO 62 N 5.22 1.31 -2.75 4.11 -0.02 -1.26 -1.71 135.00 139.90 1ced n PRO 62 Ca -0.06 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 1ced n PRO 62 Cb 0.49 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.32 3.31 -1.08 3.55 0.00 -1.26 -4.38 121.76 120.58 1ced s ALA 63 Ca 0.65 0.61 0.11 0.00 0.00 0.00 0.00 51.96 53.33 1ced s ALA 63 Cb -0.52 -3.21 0.24 0.00 0.00 0.00 0.00 23.12 19.63 1ced s ALA 63 CO 0.55 0.19 1.14 0.91 0.00 0.00 0.00 175.76 178.55 1ced n TRP 64 N 1.28 0.33 -1.70 0.00 7.02 -0.09 -4.91 117.44 119.37 1ced n TRP 64 Ca -0.01 -0.35 -0.60 0.00 -1.02 0.00 0.00 57.50 55.52 1ced n TRP 64 Cb 0.48 -0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 29.27 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 0.56 2.08 0.00 -0.99 5.75 -0.72 -0.93 116.55 122.30 1ced n ASP 65 Ca 0.10 1.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.95 1ced n ASP 65 Cb 0.39 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 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 4.35 0.12 0.13 6.12 0.00 -1.26 -4.75 105.19 109.90 1ced n GLY 66 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 1ced n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ced n ARG 67 N -0.37 0.71 -3.96 1.61 1.74 -0.11 -4.89 116.66 111.39 1ced n ARG 67 Ca 0.00 0.21 -0.29 0.00 -0.77 0.00 0.00 57.85 57.01 1ced n ARG 67 Cb 0.30 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 1ced n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ced s LEU 68 N -6.77 4.22 1.01 0.55 1.43 -1.09 -5.12 118.68 112.91 1ced s LEU 68 Ca -0.26 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1ced s LEU 68 Cb 0.08 -2.82 0.19 0.00 0.03 0.00 0.00 46.19 43.67 1ced s LEU 68 CO 0.71 0.11 1.09 -0.62 0.23 0.00 0.00 176.35 177.87 1ced s ASP 69 N -2.83 2.51 0.12 2.29 -1.08 -1.26 -4.76 116.67 111.65 1ced s ASP 69 Ca 0.34 1.28 -0.19 0.00 -0.52 0.00 0.00 52.55 53.45 1ced s ASP 69 Cb -0.12 -1.96 -0.05 0.00 -1.46 0.00 0.00 42.92 39.33 1ced s ASP 69 CO 0.27 -3.22 1.72 -0.33 0.52 0.00 0.00 175.17 174.13 1ced h GLU 70 N -1.95 0.36 -0.13 4.34 5.08 -1.99 0.13 114.58 120.42 1ced h GLU 70 Ca -0.55 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1ced h GLU 70 Cb 1.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1ced h GLU 70 CO 0.56 0.32 0.04 0.22 -1.00 0.00 0.00 179.01 179.15 1ced h ASP 71 N 0.30 0.18 0.15 1.42 3.58 -1.98 -0.07 116.42 120.01 1ced h ASP 71 Ca 0.09 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.35 1ced h ASP 71 Cb 0.07 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1ced h ASP 71 CO -0.01 0.34 -0.49 -0.08 -2.88 0.00 0.00 179.24 176.11 1ced h GLU 72 N 0.02 -0.70 -0.68 0.28 4.81 -1.90 0.28 114.58 116.69 1ced h GLU 72 Ca 0.04 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1ced h GLU 72 Cb 0.22 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 29.65 1ced h GLU 72 CO -0.00 -0.47 -0.47 0.82 -0.73 0.00 0.00 179.01 178.17 1ced h ILE 73 N -0.73 0.05 -0.95 2.32 1.08 -0.71 0.63 117.51 119.20 1ced h ILE 73 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 1ced h ILE 73 Cb 0.72 0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.45 1ced h ILE 73 CO -0.24 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 177.83 1ced h ALA 74 N 0.63 1.52 -0.11 1.87 0.00 -0.30 -0.23 119.26 122.64 1ced h ALA 74 Ca 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 74 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ced h ALA 74 CO -0.76 0.30 -0.36 0.78 0.00 0.00 0.00 179.25 179.21 1ced h GLY 75 N 1.02 0.49 0.94 0.00 0.00 0.10 0.21 103.07 105.83 1ced h GLY 75 Ca 0.44 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1ced h GLY 75 CO -0.19 0.57 0.14 -0.24 0.00 0.00 0.00 176.54 176.82 1ced h VAL 76 N 0.03 1.20 0.13 4.60 3.04 -0.64 0.24 116.25 124.84 1ced h VAL 76 Ca -0.01 -0.65 0.01 0.00 -1.01 0.00 0.00 66.70 65.04 1ced h VAL 76 Cb 0.98 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 31.14 1ced h VAL 76 CO 0.08 0.23 -0.22 0.00 -1.01 0.00 0.00 177.57 176.65 1ced h ALA 77 N 0.98 -0.38 -0.81 3.17 0.00 -1.02 -1.14 119.26 120.06 1ced h ALA 77 Ca 0.13 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1ced h ALA 77 Cb 0.22 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1ced h ALA 77 CO -0.01 -0.75 0.38 0.00 0.00 0.00 0.00 179.25 178.87 1ced h ALA 78 N 0.36 1.18 0.52 0.00 0.00 -0.67 0.94 119.26 121.59 1ced h ALA 78 Ca 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 78 Cb 0.43 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ced h ALA 78 CO -0.11 -0.14 -0.25 -0.92 0.00 0.00 0.00 179.25 177.83 1ced h TYR 79 N 0.55 -0.64 -0.73 0.00 3.20 -0.06 0.15 116.97 119.44 1ced h TYR 79 Ca 0.44 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.42 1ced h TYR 79 Cb 0.63 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 39.03 1ced h TYR 79 CO -0.12 -0.39 0.31 0.28 -1.64 0.00 0.00 178.16 176.61 1ced h VAL 80 N -0.72 0.73 -0.02 1.81 2.07 -0.87 0.50 116.25 119.75 1ced h VAL 80 Ca -0.07 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1ced h VAL 80 Cb 0.55 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ced h VAL 80 CO 0.12 0.09 0.01 0.22 0.02 0.00 0.00 177.57 178.03 1ced h TYR 81 N 0.49 0.02 -0.33 1.57 3.20 -0.41 0.44 116.97 121.96 1ced h TYR 81 Ca 0.39 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 1ced h TYR 81 Cb 0.53 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1ced h TYR 81 CO -0.15 0.02 0.20 0.22 -1.64 0.00 0.00 178.16 176.80 1ced h ASP 82 N 0.02 0.40 0.17 -2.11 1.82 -0.01 0.27 116.42 116.98 1ced h ASP 82 Ca 0.01 -0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1ced h ASP 82 Cb -0.00 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.87 1ced h ASP 82 CO -0.00 0.34 -0.46 1.56 -1.61 0.00 0.00 179.24 179.07 1ced h GLN 83 N 0.42 -0.67 -0.88 0.28 1.08 -0.82 -2.78 115.11 111.75 1ced h GLN 83 Ca 0.12 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1ced h GLN 83 Cb 0.02 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 1ced h GLN 83 CO -0.02 -0.45 0.50 0.00 -0.95 0.00 0.00 178.83 177.91 1ced h ALA 84 N -0.75 1.13 -0.19 3.87 0.00 -0.61 0.19 119.26 122.90 1ced h ALA 84 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ced h ALA 84 Cb 0.68 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1ced h ALA 84 CO -0.21 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 179.57 1ced h ALA 85 N 1.27 0.08 -0.33 0.00 0.00 -0.38 0.14 119.26 120.04 1ced h ALA 85 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ced h ALA 85 Cb -0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ced h ALA 85 CO -0.05 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.09 1ced n GLY 86 N -1.24 0.94 3.32 0.00 0.00 -1.06 -4.94 105.19 102.22 1ced n GLY 86 Ca -0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.46 -0.30 -2.17 1.61 5.15 0.49 -4.82 115.26 115.68 1ced n ASN 87 Ca 0.12 -0.32 -0.28 0.00 -0.60 0.00 0.00 54.58 53.50 1ced n ASN 87 Cb 0.37 -0.39 0.11 0.00 -0.53 0.00 0.00 39.78 39.34 1ced n ASN 87 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ced n LYS 88 N -1.91 2.61 0.00 1.20 2.85 0.47 -4.96 118.16 118.43 1ced n LYS 88 Ca -0.06 -3.32 0.08 0.00 -1.05 0.00 0.00 58.31 53.97 1ced n LYS 88 Cb 0.16 -2.22 0.49 0.00 -0.65 0.00 0.00 35.03 32.80 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26