#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 -1.45 -1.77 0.62 0.00 -1.26 -4.93 120.51 111.72 1ced n ALA 2 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1ced n ALA 2 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 19.45 15.44 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 -3.55 6.09 0.00 0.00 2.15 -1.26 -4.48 116.67 115.62 1ced s ASP 3 Ca 0.51 2.25 -0.25 0.00 0.43 0.00 0.00 52.55 55.49 1ced s ASP 3 Cb -0.25 -2.60 -0.18 0.00 -0.30 0.00 0.00 42.92 39.59 1ced s ASP 3 CO 0.82 -0.97 1.35 -0.07 -0.17 0.00 0.00 175.17 176.13 1ced h LEU 4 N 1.84 0.06 -0.20 -1.34 4.07 -1.92 0.99 115.31 118.81 1ced h LEU 4 Ca -0.49 -0.41 -0.03 0.00 0.08 0.00 0.00 57.88 57.02 1ced h LEU 4 Cb 1.25 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 1ced h LEU 4 CO 0.59 0.46 -0.00 0.00 -1.08 0.00 0.00 178.44 178.41 1ced h ALA 5 N 0.60 0.28 -0.08 1.53 0.00 -1.93 0.32 119.26 119.98 1ced h ALA 5 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ced h ALA 5 Cb 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1ced h ALA 5 CO 0.00 -0.00 -0.23 1.25 0.00 0.00 0.00 179.25 180.27 1ced h LEU 6 N 0.12 -0.70 -0.77 0.00 6.46 -1.96 0.12 115.31 118.58 1ced h LEU 6 Ca 0.06 0.11 0.17 0.00 -0.12 0.00 0.00 57.88 58.10 1ced h LEU 6 Cb 0.40 0.31 -0.11 0.00 -0.73 0.00 0.00 40.66 40.52 1ced h LEU 6 CO 0.01 -0.29 0.21 1.23 -0.62 0.00 0.00 178.44 178.98 1ced h GLY 7 N -0.32 1.12 0.92 3.75 0.00 -0.48 0.42 103.07 108.47 1ced h GLY 7 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1ced h GLY 7 CO -0.26 -0.22 -0.27 1.70 0.00 0.00 0.00 176.54 177.48 1ced h LYS 8 N 0.29 -0.74 -0.81 4.80 3.64 0.33 0.73 116.57 124.81 1ced h LYS 8 Ca 0.45 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 60.07 1ced h LYS 8 Cb 0.78 0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 32.63 1ced h LYS 8 CO -0.52 -0.46 0.04 0.00 -2.27 0.00 0.00 179.45 176.24 1ced h ALA 9 N -0.47 0.90 0.49 5.00 0.00 0.22 0.20 119.26 125.60 1ced h ALA 9 Ca -0.08 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ced h ALA 9 Cb 0.62 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ced h ALA 9 CO 0.13 -0.44 -0.29 0.28 0.00 0.00 0.00 179.25 178.92 1ced h VAL 10 N 0.11 0.39 -0.26 0.00 2.07 -0.81 -2.85 116.25 114.90 1ced h VAL 10 Ca 0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.02 1ced h VAL 10 Cb 0.84 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1ced h VAL 10 CO -0.70 0.00 -0.55 0.15 0.02 0.00 0.00 177.57 176.49 1ced h PHE 11 N -0.74 -1.66 -0.77 1.57 3.57 0.17 0.18 116.94 119.26 1ced h PHE 11 Ca -0.06 0.07 0.19 0.00 3.53 0.00 0.00 57.97 61.70 1ced h PHE 11 Cb 0.60 0.76 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 1ced h PHE 11 CO -0.09 -0.52 0.53 -0.44 -2.23 0.00 0.00 178.31 175.56 1ced h ASP 12 N -0.50 0.23 0.05 0.41 5.19 -0.79 0.22 116.42 121.23 1ced h ASP 12 Ca 0.05 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.32 1ced h ASP 12 Cb 0.64 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1ced h ASP 12 CO -0.51 0.10 -0.84 1.23 -3.12 0.00 0.00 179.24 176.10 1ced h GLY 13 N 0.23 0.11 0.00 2.75 0.00 -1.01 -3.41 103.07 101.75 1ced h GLY 13 Ca 0.38 -0.28 -0.36 0.00 0.00 0.00 0.00 47.33 47.07 1ced h GLY 13 CO -0.09 0.25 -2.36 0.70 0.00 0.00 0.00 176.54 175.04 1ced n ASN 14 N -4.32 1.43 -0.09 0.19 3.02 0.53 -4.65 115.26 111.36 1ced n ASN 14 Ca -0.21 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.09 1ced n ASN 14 Cb 0.69 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.38 2.69 -0.99 0.00 0.00 -1.24 0.15 119.26 119.48 1ced h ALA 16 Ca -0.46 0.01 0.28 0.00 0.00 0.00 0.00 54.91 54.74 1ced h ALA 16 Cb 1.52 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.19 1ced h ALA 16 CO -0.19 -1.05 0.05 0.00 0.00 0.00 0.00 179.25 178.05 1ced n ALA 17 N -2.63 0.54 -0.02 0.00 0.00 -1.26 -0.23 120.51 116.92 1ced n ALA 17 Ca 0.25 1.06 0.05 0.00 0.00 0.00 0.00 53.44 54.80 1ced n ALA 17 Cb 1.05 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.06 0.28 -1.67 0.00 8.25 0.14 -0.12 115.22 120.05 1ced n HIS 19 Ca -0.06 -1.35 -0.58 0.00 -0.26 0.00 0.00 57.72 55.48 1ced n HIS 19 Cb 0.45 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.68 -0.89 -2.85 -1.41 0.00 0.69 0.61 120.51 115.97 1ced n ALA 20 Ca 0.18 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 53.86 1ced n ALA 20 Cb 0.83 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 3.50 -0.49 2.70 0.00 0.00 -1.26 -0.38 105.19 109.26 1ced n GLY 21 Ca 0.25 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.39 0.22 3.40 -0.02 0.00 0.20 -4.88 105.19 102.71 1ced n GLY 22 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 2.68 -0.73 -0.02 0.00 0.49 -0.63 107.32 107.12 1ced s GLY 23 Ca 0.00 -3.45 -0.38 0.00 0.00 0.00 0.00 44.72 40.89 1ced s GLY 23 CO 0.00 1.68 2.40 -2.01 0.00 0.00 0.00 173.10 175.16 1ced n ASN 24 N 4.47 0.57 -0.03 1.64 2.85 -1.22 -4.14 115.26 119.41 1ced n ASN 24 Ca 0.27 0.44 0.13 0.00 -0.11 0.00 0.00 54.58 55.31 1ced n ASN 24 Cb 0.43 -0.92 0.52 0.00 1.24 0.00 0.00 39.78 41.05 1ced n ASN 24 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ced n ASN 25 N 8.98 0.26 -0.11 1.20 5.15 0.84 -3.32 115.26 128.25 1ced n ASN 25 Ca 0.60 -0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 54.39 1ced n ASN 25 Cb 0.00 -0.17 -0.07 0.00 -0.53 0.00 0.00 39.78 39.00 1ced n ASN 25 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1ced n VAL 26 N -1.36 1.50 -3.88 3.44 0.31 -1.26 -4.75 118.33 112.33 1ced n VAL 26 Ca 0.09 -0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 64.04 1ced n VAL 26 Cb 0.32 -2.13 -0.13 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.49 2.91 0.34 2.52 1.01 -1.26 -5.02 121.20 119.21 1ced s ILE 27 Ca -0.29 -2.94 0.11 0.00 0.00 0.00 0.00 60.65 57.53 1ced s ILE 27 Cb 0.07 -3.00 0.39 0.00 0.01 0.00 0.00 42.46 39.94 1ced s ILE 27 CO 0.45 -0.78 1.57 -0.65 0.00 0.00 0.00 174.94 175.54 1ced h PRO 28 N 6.98 0.00 0.00 2.79 0.11 -1.85 -0.37 132.00 139.67 1ced h PRO 28 Ca -0.06 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 1ced h PRO 28 Cb 0.94 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1ced h PRO 28 CO 0.67 0.00 -0.71 0.22 -0.21 0.00 0.00 178.00 177.97 1ced h ASP 29 N 0.00 0.00 -0.45 -2.05 3.58 -1.96 -3.38 116.42 112.16 1ced h ASP 29 Ca 0.72 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.72 1ced h ASP 29 Cb 1.71 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.67 1ced h ASP 29 CO -0.86 0.58 1.06 1.57 -2.88 0.00 0.00 179.24 178.71 1ced n HIS 30 N -3.19 1.27 -1.50 0.28 -0.00 -0.15 -4.91 115.22 107.02 1ced n HIS 30 Ca -0.00 -2.12 -0.29 0.00 0.46 0.00 0.00 57.72 55.76 1ced n HIS 30 Cb 0.78 -1.75 0.18 0.00 -0.12 0.00 0.00 29.99 29.08 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 0.06 1.88 -0.64 3.57 -4.23 -1.26 -4.63 115.64 110.39 1ced s THR 31 Ca 0.64 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.18 1ced s THR 31 Cb 0.29 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.61 1ced s THR 31 CO -0.09 0.00 0.94 0.18 -0.54 0.00 0.00 174.62 175.11 1ced n LEU 32 N -4.07 2.70 -4.75 4.79 4.77 0.19 -4.14 117.00 116.49 1ced n LEU 32 Ca 0.11 -1.37 -0.34 0.00 -0.03 0.00 0.00 56.01 54.37 1ced n LEU 32 Cb 0.59 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1ced n LEU 32 CO 0.51 0.42 0.77 -1.10 -1.33 0.00 0.00 177.39 176.66 1ced s GLN 33 N -1.34 2.63 0.10 3.23 -1.52 -1.26 -4.62 119.66 116.88 1ced s GLN 33 Ca 0.15 1.58 -0.34 0.00 -1.95 0.00 0.00 55.36 54.80 1ced s GLN 33 Cb 0.12 -1.91 -0.14 0.00 -0.22 0.00 0.00 33.01 30.85 1ced s GLN 33 CO 0.04 -1.42 1.57 -0.22 -0.25 0.00 0.00 175.29 175.01 1ced h LYS 34 N 0.11 -0.79 -1.00 2.91 3.64 -1.91 -0.91 116.57 118.62 1ced h LYS 34 Ca -0.48 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1ced h LYS 34 Cb 1.27 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 33.17 1ced h LYS 34 CO 0.53 -0.53 0.62 0.00 -2.27 0.00 0.00 179.45 177.80 1ced h ALA 35 N -0.57 1.85 -0.06 5.00 0.00 -1.92 0.06 119.26 123.62 1ced h ALA 35 Ca -0.02 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1ced h ALA 35 Cb 0.78 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ced h ALA 35 CO -0.20 -0.24 -0.69 0.00 0.00 0.00 0.00 179.25 178.12 1ced h ALA 36 N 1.65 0.16 -0.22 0.00 0.00 -1.60 0.70 119.26 119.96 1ced h ALA 36 Ca 0.58 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 36 Cb 1.10 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1ced h ALA 36 CO -0.36 0.48 -0.30 0.82 0.00 0.00 0.00 179.25 179.89 1ced h ILE 37 N 0.18 0.30 -0.39 0.00 2.04 -0.63 0.37 117.51 119.37 1ced h ILE 37 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1ced h ILE 37 Cb 1.35 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1ced h ILE 37 CO 0.14 0.00 0.19 -0.33 0.00 0.00 0.00 178.15 178.15 1ced h GLU 38 N -0.32 0.54 0.52 2.37 5.08 -0.25 0.19 114.58 122.72 1ced h GLU 38 Ca 0.12 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ced h GLU 38 Cb 0.52 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ced h GLU 38 CO -0.41 0.43 -0.25 1.96 -1.00 0.00 0.00 179.01 179.74 1ced h GLN 39 N 0.55 -0.68 0.12 2.33 1.08 -0.62 -3.42 115.11 114.47 1ced h GLN 39 Ca 0.14 0.05 -0.33 0.00 -1.45 0.00 0.00 58.65 57.06 1ced h GLN 39 Cb 0.06 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1ced h GLN 39 CO -0.02 -0.44 -1.72 0.74 -0.95 0.00 0.00 178.83 176.43 1ced h PHE 40 N -1.18 0.45 -2.44 2.96 0.04 -0.52 -3.43 116.94 112.82 1ced h PHE 40 Ca -0.07 -0.33 -0.54 0.00 2.80 0.00 0.00 57.97 59.83 1ced h PHE 40 Cb 0.55 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 1ced h PHE 40 CO 0.00 1.50 1.26 -1.17 -0.60 0.00 0.00 178.31 179.30 1ced s LEU 41 N -6.93 3.39 0.16 1.54 2.96 0.65 -4.89 118.68 115.56 1ced s LEU 41 Ca -0.13 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1ced s LEU 41 Cb 0.07 -2.99 0.21 0.00 0.50 0.00 0.00 46.19 43.98 1ced s LEU 41 CO 0.83 -1.98 1.01 -0.90 -1.32 0.00 0.00 176.35 173.98 1ced n ASP 42 N 11.10 -0.35 0.00 3.68 5.75 -1.26 -0.48 116.55 134.98 1ced n ASP 42 Ca 0.19 1.12 0.10 0.00 -0.01 0.00 0.00 54.79 56.20 1ced n ASP 42 Cb 0.50 -0.29 0.51 0.00 -1.03 0.00 0.00 41.12 40.81 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ced n GLY 43 N -1.35 -1.04 1.98 6.12 0.00 -1.26 -5.01 105.19 104.62 1ced n GLY 43 Ca 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.55 -2.07 3.04 -0.02 0.00 0.36 -4.33 105.19 102.72 1ced n GLY 44 Ca 0.09 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.60 2.32 -4.13 1.61 7.35 -1.26 -4.68 117.46 117.07 1ced n PHE 45 Ca 0.00 -2.07 -0.14 0.00 -0.76 0.00 0.00 57.45 54.48 1ced n PHE 45 Cb 0.14 -1.95 -0.11 0.00 0.35 0.00 0.00 39.48 37.91 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 4.65 1.22 0.03 -2.13 0.01 -1.26 -5.07 114.94 112.39 1ced s ASN 46 Ca 0.55 -0.69 -0.25 0.00 -0.71 0.00 0.00 52.86 51.76 1ced s ASN 46 Cb 0.14 0.02 -0.17 0.00 0.41 0.00 0.00 41.25 41.64 1ced s ASN 46 CO 0.07 -0.23 1.44 0.40 -1.51 0.00 0.00 177.10 177.27 1ced h ILE 47 N 4.00 0.98 -0.96 0.60 1.08 -1.94 -1.68 117.51 119.59 1ced h ILE 47 Ca -0.37 -0.53 0.11 0.00 -0.39 0.00 0.00 64.86 63.68 1ced h ILE 47 Cb 1.19 1.31 -0.13 0.00 -3.07 0.00 0.00 36.82 36.13 1ced h ILE 47 CO 0.47 0.13 -0.50 -0.62 -0.69 0.00 0.00 178.15 176.94 1ced n GLU 48 N -5.06 -0.35 -0.13 2.37 4.71 -1.26 -0.39 120.64 120.53 1ced n GLU 48 Ca -0.09 1.45 -0.04 0.00 -0.01 0.00 0.00 57.16 58.48 1ced n GLU 48 Cb 0.19 -2.14 0.04 0.00 -1.01 0.00 0.00 31.44 28.52 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 0.77 0.44 0.56 0.62 0.00 -1.78 0.99 119.26 120.87 1ced h ALA 49 Ca 0.22 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1ced h ALA 49 Cb 0.45 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ced h ALA 49 CO -0.92 -0.35 -0.40 0.82 0.00 0.00 0.00 179.25 178.40 1ced h ILE 50 N 0.17 0.19 -0.34 0.00 1.08 -0.03 -2.10 117.51 116.48 1ced h ILE 50 Ca 0.21 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.76 1ced h ILE 50 Cb 0.29 0.19 -0.08 0.00 -3.07 0.00 0.00 36.82 34.15 1ced h ILE 50 CO -0.31 0.00 -0.20 0.58 -0.69 0.00 0.00 178.15 177.53 1ced h VAL 51 N -0.93 0.44 -0.77 1.67 2.07 -0.18 0.24 116.25 118.79 1ced h VAL 51 Ca -0.06 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 1ced h VAL 51 Cb 0.78 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 30.84 1ced h VAL 51 CO 0.03 0.00 -0.25 0.22 0.02 0.00 0.00 177.57 177.59 1ced h TYR 52 N -0.15 -0.60 0.27 1.57 5.03 -0.78 0.25 116.97 122.57 1ced h TYR 52 Ca 0.17 0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 1ced h TYR 52 Cb 0.42 0.38 -0.00 0.00 1.55 0.00 0.00 36.73 39.08 1ced h TYR 52 CO -0.41 -0.36 -0.15 0.37 -1.32 0.00 0.00 178.16 176.30 1ced h GLN 53 N -0.04 -0.38 -0.35 1.82 5.75 -0.28 -0.06 115.11 121.58 1ced h GLN 53 Ca 0.35 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.92 1ced h GLN 53 Cb 0.58 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.17 1ced h GLN 53 CO -0.81 -0.25 0.07 0.82 -2.65 0.00 0.00 178.83 176.01 1ced h ILE 54 N -0.40 0.83 0.00 2.39 5.03 0.00 0.16 117.51 125.53 1ced h ILE 54 Ca -0.03 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1ced h ILE 54 Cb 0.32 0.62 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 1ced h ILE 54 CO 0.04 0.03 0.00 -0.62 -0.68 0.00 0.00 178.15 176.93 1ced n GLU 55 N -5.09 0.00 -0.52 2.37 1.02 0.77 -0.53 120.64 118.66 1ced n GLU 55 Ca 0.01 0.41 0.08 0.00 -0.02 0.00 0.00 57.16 57.64 1ced n GLU 55 Cb 0.15 -1.27 0.30 0.00 -0.02 0.00 0.00 31.44 30.60 1ced n GLU 55 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ced n ASN 56 N -1.52 4.29 -1.05 1.62 0.23 -0.05 -0.51 115.26 118.26 1ced n ASN 56 Ca 0.00 -2.56 0.00 0.00 -0.53 0.00 0.00 54.58 51.49 1ced n ASN 56 Cb 0.00 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.19 1ced n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ced n GLY 57 N 0.54 0.00 3.75 4.83 0.00 0.56 -4.84 105.19 110.04 1ced n GLY 57 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1ced n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ced s LYS 58 N 0.00 0.10 0.00 1.61 2.20 -1.26 -4.65 119.74 117.74 1ced s LYS 58 Ca 0.00 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1ced s LYS 58 Cb 0.00 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1ced s LYS 58 CO 0.00 -2.84 0.00 0.41 -0.36 0.00 0.00 175.35 172.56 1ced n GLY 59 N -2.16 0.00 1.71 5.54 0.00 -1.26 -0.28 105.19 108.74 1ced n GLY 59 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 5.04 -3.24 4.61 0.00 -1.26 -4.95 120.51 120.71 1ced n ALA 60 Ca 0.00 -3.30 -0.33 0.00 0.00 0.00 0.00 53.44 49.81 1ced n ALA 60 Cb 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 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 -3.44 3.31 0.58 0.00 0.00 0.62 -5.03 119.30 115.33 1ced s MET 61 Ca 0.52 -0.72 0.28 0.00 0.00 0.00 0.00 55.69 55.77 1ced s MET 61 Cb 0.44 -2.63 1.50 0.00 0.00 0.00 0.00 34.83 34.14 1ced s MET 61 CO 0.02 0.12 1.95 -1.35 0.00 0.00 0.00 175.02 175.75 1ced h PRO 62 N 7.00 0.00 -1.96 4.11 0.11 -1.90 -3.37 132.00 135.98 1ced h PRO 62 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ced h PRO 62 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ced h PRO 62 CO 0.56 0.00 -0.48 0.00 -0.21 0.00 0.00 178.00 177.86 1ced n ALA 63 N -2.41 -1.68 -0.14 -0.75 0.00 -1.26 -4.90 120.51 109.37 1ced n ALA 63 Ca 0.08 0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.77 1ced n ALA 63 Cb 0.61 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.09 1ced n ALA 63 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1ced n TRP 64 N -1.09 0.00 -1.59 0.00 7.02 0.33 -4.92 117.44 117.19 1ced n TRP 64 Ca 0.00 -0.52 -0.58 0.00 -1.02 0.00 0.00 57.50 55.38 1ced n TRP 64 Cb 0.03 -0.06 -0.08 0.00 -2.42 0.00 0.00 31.31 28.78 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 -0.55 1.88 -0.99 -0.99 5.75 -0.15 -0.89 116.55 120.61 1ced n ASP 65 Ca 0.01 0.91 -0.13 0.00 -0.01 0.00 0.00 54.79 55.57 1ced n ASP 65 Cb 0.30 -1.08 -0.06 0.00 -1.03 0.00 0.00 41.12 39.25 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 5.15 1.28 0.09 6.12 0.00 -1.26 -4.80 105.19 111.78 1ced n GLY 66 Ca 0.35 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.59 0.69 -3.98 1.61 1.74 -0.07 -4.96 116.66 110.10 1ced n ARG 67 Ca -0.13 0.09 -0.25 0.00 -0.77 0.00 0.00 57.85 56.79 1ced n ARG 67 Cb 0.55 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 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 -5.96 4.22 0.99 0.55 1.43 -1.14 -5.13 118.68 113.65 1ced s LEU 68 Ca -0.23 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1ced s LEU 68 Cb 0.06 -2.79 0.19 0.00 0.03 0.00 0.00 46.19 43.68 1ced s LEU 68 CO 0.49 0.04 1.09 -0.62 0.23 0.00 0.00 176.35 177.59 1ced s ASP 69 N -3.31 2.67 0.09 2.29 -1.08 -1.26 -4.77 116.67 111.29 1ced s ASP 69 Ca 0.34 1.21 -0.21 0.00 -0.52 0.00 0.00 52.55 53.37 1ced s ASP 69 Cb -0.11 -1.87 -0.10 0.00 -1.46 0.00 0.00 42.92 39.38 1ced s ASP 69 CO 0.27 -3.11 1.62 -0.33 0.52 0.00 0.00 175.17 174.15 1ced h GLU 70 N -1.88 0.24 -0.23 4.34 5.08 -2.00 0.14 114.58 120.28 1ced h GLU 70 Ca -0.54 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 1ced h GLU 70 Cb 1.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1ced h GLU 70 CO 0.57 0.33 0.09 0.22 -1.00 0.00 0.00 179.01 179.21 1ced h ASP 71 N 0.11 0.33 0.23 1.42 1.82 -1.98 -0.39 116.42 117.95 1ced h ASP 71 Ca 0.05 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1ced h ASP 71 Cb 0.17 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1ced h ASP 71 CO -0.00 0.42 -0.43 -0.08 -1.61 0.00 0.00 179.24 177.53 1ced h GLU 72 N 0.22 -0.68 -0.72 0.28 4.81 -1.91 0.21 114.58 116.78 1ced h GLU 72 Ca 0.08 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1ced h GLU 72 Cb 0.20 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 29.61 1ced h GLU 72 CO -0.00 -0.46 -0.44 0.82 -0.73 0.00 0.00 179.01 178.20 1ced h ILE 73 N -0.71 0.06 -0.72 2.32 1.08 -0.66 0.12 117.51 119.00 1ced h ILE 73 Ca -0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1ced h ILE 73 Cb 0.67 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 1ced h ILE 73 CO -0.16 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.78 1ced h ALA 74 N 0.79 1.62 -0.04 1.87 0.00 -0.64 -0.51 119.26 122.36 1ced h ALA 74 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ced h ALA 74 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ced h ALA 74 CO -0.78 0.29 -0.10 0.78 0.00 0.00 0.00 179.25 179.44 1ced h GLY 75 N 0.83 0.15 1.01 0.00 0.00 0.16 -0.11 103.07 105.10 1ced h GLY 75 Ca 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1ced h GLY 75 CO -0.09 0.16 0.40 -0.24 0.00 0.00 0.00 176.54 176.78 1ced h VAL 76 N -0.41 1.22 0.51 4.60 3.04 -0.68 0.15 116.25 124.67 1ced h VAL 76 Ca -0.00 -0.55 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 1ced h VAL 76 Cb 0.70 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1ced h VAL 76 CO 0.02 0.24 -0.39 0.00 -1.01 0.00 0.00 177.57 176.44 1ced h ALA 77 N 1.21 -0.91 -0.61 3.17 0.00 -1.04 -0.04 119.26 121.03 1ced h ALA 77 Ca 0.26 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1ced h ALA 77 Cb 0.03 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1ced h ALA 77 CO -0.04 -1.04 0.05 0.00 0.00 0.00 0.00 179.25 178.22 1ced h ALA 78 N -0.53 0.65 0.51 0.00 0.00 -0.66 0.11 119.26 119.34 1ced h ALA 78 Ca -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 78 Cb 0.74 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ced h ALA 78 CO 0.01 -0.37 -0.25 -0.92 0.00 0.00 0.00 179.25 177.72 1ced h TYR 79 N 0.17 -0.64 -0.74 0.00 3.20 -0.55 0.46 116.97 118.87 1ced h TYR 79 Ca 0.32 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.34 1ced h TYR 79 Cb 0.51 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.88 1ced h TYR 79 CO -0.32 -0.40 0.17 0.28 -1.64 0.00 0.00 178.16 176.25 1ced h VAL 80 N -0.69 0.50 0.33 1.81 2.07 -0.59 0.20 116.25 119.87 1ced h VAL 80 Ca -0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1ced h VAL 80 Cb 0.53 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1ced h VAL 80 CO 0.12 0.05 -0.26 0.22 0.02 0.00 0.00 177.57 177.72 1ced h TYR 81 N 0.26 -0.68 -0.13 1.57 3.20 -0.22 0.14 116.97 121.11 1ced h TYR 81 Ca 0.42 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.33 1ced h TYR 81 Cb 0.72 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 1ced h TYR 81 CO -0.27 -0.38 -0.25 0.22 -1.64 0.00 0.00 178.16 175.83 1ced h ASP 82 N -0.59 -0.78 -0.88 -2.11 3.58 -0.22 0.38 116.42 115.80 1ced h ASP 82 Ca -0.02 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1ced h ASP 82 Cb 0.52 0.34 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 1ced h ASP 82 CO -0.01 -0.30 0.52 -0.61 -2.88 0.00 0.00 179.24 175.95 1ced h GLN 83 N -0.32 1.20 0.14 0.28 5.75 -0.40 -1.54 115.11 120.21 1ced h GLN 83 Ca 0.10 -0.11 -0.30 0.00 -0.15 0.00 0.00 58.65 58.19 1ced h GLN 83 Cb 0.47 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1ced h GLN 83 CO -0.31 0.85 -1.42 0.00 -2.65 0.00 0.00 178.83 175.30 1ced h ALA 84 N 1.35 0.16 0.56 3.38 0.00 -0.61 -1.58 119.26 122.52 1ced h ALA 84 Ca 0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1ced h ALA 84 Cb -0.03 0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ced h ALA 84 CO -0.06 1.03 -0.27 0.00 0.00 0.00 0.00 179.25 179.95 1ced h ALA 85 N 0.48 -0.76 0.00 0.00 0.00 0.26 -0.04 119.26 119.21 1ced h ALA 85 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ced h ALA 85 Cb 2.02 0.29 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1ced h ALA 85 CO 0.19 -0.91 0.00 0.78 0.00 0.00 0.00 179.25 179.31 1ced h GLY 86 N -0.79 0.00 -6.01 0.00 0.00 -1.48 -3.47 103.07 91.31 1ced h GLY 86 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.80 1ced h GLY 86 CO 0.13 0.00 -0.72 -2.01 0.00 0.00 0.00 176.54 173.94 1ced n ASN 87 N -2.77 -5.12 -1.95 0.19 5.15 -0.03 -4.87 115.26 105.86 1ced n ASN 87 Ca 0.01 -0.67 -0.19 0.00 -0.60 0.00 0.00 54.58 53.13 1ced n ASN 87 Cb 0.27 -4.08 0.05 0.00 -0.53 0.00 0.00 39.78 35.49 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 -4.61 1.95 0.00 1.20 0.00 -0.65 -4.97 118.16 111.08 1ced n LYS 88 Ca 0.02 -1.89 0.02 0.00 -0.00 0.00 0.00 58.31 56.47 1ced n LYS 88 Cb 0.54 -1.74 0.11 0.00 -0.00 0.00 0.00 35.03 33.94 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31