#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 -1.33 -1.78 -1.84 0.00 -1.25 -4.96 120.51 109.34 1ced n ALA 2 Ca 0.00 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1ced n ALA 2 Cb 0.00 -5.04 -0.02 0.00 0.00 0.00 0.00 19.45 14.39 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 -3.36 6.11 0.12 0.00 2.15 -1.26 -4.51 116.67 115.91 1ced s ASP 3 Ca 0.59 2.08 -0.06 0.00 0.43 0.00 0.00 52.55 55.59 1ced s ASP 3 Cb -0.27 -2.58 -0.12 0.00 -0.30 0.00 0.00 42.92 39.65 1ced s ASP 3 CO 0.77 -0.95 1.28 -0.07 -0.17 0.00 0.00 175.17 176.03 1ced h LEU 4 N 1.55 0.60 -0.11 -1.34 3.38 -1.93 0.33 115.31 117.78 1ced h LEU 4 Ca -0.50 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 56.92 1ced h LEU 4 Cb 1.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ced h LEU 4 CO 0.59 1.28 -0.21 0.00 0.09 0.00 0.00 178.44 180.19 1ced h ALA 5 N 0.68 0.17 -0.08 1.53 0.00 -1.93 0.29 119.26 119.92 1ced h ALA 5 Ca -0.09 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ced h ALA 5 Cb 1.61 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1ced h ALA 5 CO 0.17 0.12 -0.44 1.25 0.00 0.00 0.00 179.25 180.35 1ced h LEU 6 N -0.10 -1.38 -0.77 0.00 5.85 -1.96 0.98 115.31 117.94 1ced h LEU 6 Ca 0.01 0.17 0.17 0.00 0.84 0.00 0.00 57.88 59.07 1ced h LEU 6 Cb 0.79 0.55 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 1ced h LEU 6 CO 0.05 -0.45 0.21 1.23 -0.34 0.00 0.00 178.44 179.13 1ced h GLY 7 N -0.55 1.11 0.92 3.75 0.00 -0.80 -0.00 103.07 107.50 1ced h GLY 7 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ced h GLY 7 CO -0.37 -0.21 -0.25 1.70 0.00 0.00 0.00 176.54 177.41 1ced h LYS 8 N 0.29 -0.68 -0.77 4.80 3.64 0.15 1.00 116.57 125.01 1ced h LYS 8 Ca 0.44 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 60.04 1ced h LYS 8 Cb 0.77 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.62 1ced h LYS 8 CO -0.52 -0.41 0.11 0.00 -2.27 0.00 0.00 179.45 176.37 1ced h ALA 9 N -0.35 0.94 0.77 5.00 0.00 0.12 0.22 119.26 125.96 1ced h ALA 9 Ca -0.07 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 9 Cb 0.58 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ced h ALA 9 CO 0.12 -0.40 -0.40 0.28 0.00 0.00 0.00 179.25 178.85 1ced h VAL 10 N 0.18 0.19 -0.34 0.00 2.07 -0.91 -2.84 116.25 114.60 1ced h VAL 10 Ca 0.44 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.00 1ced h VAL 10 Cb 0.79 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1ced h VAL 10 CO -0.60 0.00 -0.54 0.15 0.02 0.00 0.00 177.57 176.59 1ced h PHE 11 N -1.07 -1.65 -0.91 1.57 3.57 0.11 0.21 116.94 118.76 1ced h PHE 11 Ca -0.10 0.08 0.20 0.00 3.53 0.00 0.00 57.97 61.68 1ced h PHE 11 Cb 0.84 0.77 -0.07 0.00 2.79 0.00 0.00 35.95 40.27 1ced h PHE 11 CO -0.04 -0.50 0.60 -0.44 -2.23 0.00 0.00 178.31 175.69 1ced h ASP 12 N -0.44 0.43 0.12 0.41 5.19 -0.73 0.20 116.42 121.60 1ced h ASP 12 Ca 0.07 0.05 -0.26 0.00 -0.62 0.00 0.00 57.03 56.26 1ced h ASP 12 Cb 0.62 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1ced h ASP 12 CO -0.56 0.17 -1.32 1.23 -3.12 0.00 0.00 179.24 175.65 1ced h GLY 13 N 0.43 0.29 0.00 2.75 0.00 -0.91 -3.41 103.07 102.21 1ced h GLY 13 Ca 0.48 -0.73 -0.29 0.00 0.00 0.00 0.00 47.33 46.79 1ced h GLY 13 CO -0.19 0.64 -2.09 0.70 0.00 0.00 0.00 176.54 175.61 1ced n ASN 14 N -3.96 2.07 -0.09 0.19 3.02 0.60 -4.68 115.26 112.42 1ced n ASN 14 Ca -0.23 -0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 1ced n ASN 14 Cb 0.89 0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.30 2.86 -0.93 0.00 0.00 -1.24 0.99 119.26 120.65 1ced h ALA 16 Ca -0.41 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.75 1ced h ALA 16 Cb 1.49 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.19 1ced h ALA 16 CO -0.16 -1.23 0.05 0.00 0.00 0.00 0.00 179.25 177.91 1ced n ALA 17 N -2.68 0.50 -0.07 0.00 0.00 -1.26 -0.22 120.51 116.78 1ced n ALA 17 Ca 0.26 0.99 -0.07 0.00 0.00 0.00 0.00 53.44 54.62 1ced n ALA 17 Cb 1.14 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.53 1.54 -1.73 0.00 8.25 0.06 0.03 115.22 120.84 1ced n HIS 19 Ca -0.23 -1.89 -0.63 0.00 -0.26 0.00 0.00 57.72 54.71 1ced n HIS 19 Cb 0.94 -0.51 -0.09 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.00 -0.93 -2.99 -1.41 0.00 0.69 0.53 120.51 115.41 1ced n ALA 20 Ca 0.37 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 54.04 1ced n ALA 20 Cb 0.93 -2.05 0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 4.00 -0.49 2.60 0.00 0.00 -1.26 -0.47 105.19 109.56 1ced n GLY 21 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.51 0.27 3.40 -0.02 0.00 0.19 -4.89 105.19 102.63 1ced n GLY 22 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 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 2.25 -0.33 -0.02 0.00 0.38 -0.72 107.32 106.88 1ced s GLY 23 Ca 0.00 -3.01 -0.38 0.00 0.00 0.00 0.00 44.72 41.33 1ced s GLY 23 CO 0.00 1.68 1.99 -2.01 0.00 0.00 0.00 173.10 174.76 1ced n ASN 24 N 5.41 2.11 0.01 1.64 2.85 -1.25 -3.71 115.26 122.32 1ced n ASN 24 Ca 0.19 0.74 0.13 0.00 -0.11 0.00 0.00 54.58 55.53 1ced n ASN 24 Cb 0.48 -1.17 0.35 0.00 1.24 0.00 0.00 39.78 40.68 1ced n ASN 24 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ced n ASN 25 N 7.61 0.41 -0.04 1.20 3.02 0.10 -4.22 115.26 123.35 1ced n ASN 25 Ca 0.36 0.05 -0.05 0.00 -0.03 0.00 0.00 54.58 54.92 1ced n ASN 25 Cb 0.15 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1ced n ASN 25 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ced n VAL 26 N -1.63 0.99 -3.50 2.41 0.31 -1.26 -4.80 118.33 110.85 1ced n VAL 26 Ca 0.06 0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 64.22 1ced n VAL 26 Cb 0.36 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.17 4.61 0.28 2.52 1.01 -1.26 -5.00 121.20 121.19 1ced s ILE 27 Ca -0.15 -2.17 -0.02 0.00 0.00 0.00 0.00 60.65 58.31 1ced s ILE 27 Cb 0.02 -3.96 0.20 0.00 0.01 0.00 0.00 42.46 38.73 1ced s ILE 27 CO 0.23 -0.88 1.88 1.55 0.00 0.00 0.00 174.94 177.73 1ced h PRO 28 N 8.05 0.98 0.00 2.79 0.13 -1.87 -0.71 132.00 141.37 1ced h PRO 28 Ca -0.10 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1ced h PRO 28 Cb 1.04 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ced h PRO 28 CO 0.83 0.76 0.00 0.38 -0.23 0.00 0.00 178.00 179.74 1ced h ASP 29 N 0.98 0.00 -0.49 1.44 2.03 -1.94 -3.39 116.42 115.04 1ced h ASP 29 Ca 0.24 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 56.08 1ced h ASP 29 Cb 0.10 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.51 1ced h ASP 29 CO -0.03 0.00 1.06 1.57 -1.03 0.00 0.00 179.24 180.81 1ced n HIS 30 N -3.07 1.32 -1.66 4.15 -0.00 -0.27 -4.93 115.22 110.76 1ced n HIS 30 Ca 0.03 -2.13 -0.30 0.00 0.46 0.00 0.00 57.72 55.78 1ced n HIS 30 Cb 0.46 -1.74 0.07 0.00 -0.12 0.00 0.00 29.99 28.66 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 -0.08 3.45 0.00 3.57 -4.23 -1.26 -4.62 115.64 112.48 1ced s THR 31 Ca 0.63 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.59 1ced s THR 31 Cb 0.29 -3.30 -0.11 0.00 1.34 0.00 0.00 72.50 70.73 1ced s THR 31 CO -0.09 -0.62 2.56 0.18 -0.54 0.00 0.00 174.62 176.12 1ced n LEU 32 N -3.23 5.06 -4.88 4.79 4.77 0.10 -4.38 117.00 119.24 1ced n LEU 32 Ca 0.07 -2.61 -0.32 0.00 -0.03 0.00 0.00 56.01 53.12 1ced n LEU 32 Cb 0.56 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1ced n LEU 32 CO 0.57 1.23 0.14 -1.10 -1.33 0.00 0.00 177.39 176.90 1ced s GLN 33 N 0.51 3.73 0.11 3.23 -1.52 -1.26 -4.48 119.66 119.98 1ced s GLN 33 Ca 0.27 0.13 -0.33 0.00 -1.95 0.00 0.00 55.36 53.48 1ced s GLN 33 Cb 0.13 -2.73 -0.12 0.00 -0.22 0.00 0.00 33.01 30.06 1ced s GLN 33 CO 0.00 0.38 1.56 -0.22 -0.25 0.00 0.00 175.29 176.76 1ced h LYS 34 N 2.68 -0.62 -0.77 2.91 3.64 -1.90 0.11 116.57 122.63 1ced h LYS 34 Ca -0.47 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.09 1ced h LYS 34 Cb 1.17 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 1ced h LYS 34 CO 0.70 -0.42 0.51 0.00 -2.27 0.00 0.00 179.45 177.97 1ced h ALA 35 N -0.31 1.97 0.00 5.00 0.00 -1.95 0.14 119.26 124.10 1ced h ALA 35 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1ced h ALA 35 Cb 0.71 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ced h ALA 35 CO -0.36 -0.16 -0.66 0.00 0.00 0.00 0.00 179.25 178.08 1ced h ALA 36 N 1.63 0.08 0.39 0.00 0.00 -1.56 -2.27 119.26 117.54 1ced h ALA 36 Ca 0.37 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ced h ALA 36 Cb 0.69 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1ced h ALA 36 CO -0.13 0.39 -0.46 0.82 0.00 0.00 0.00 179.25 179.87 1ced h ILE 37 N -0.05 0.10 -0.15 0.00 2.04 -0.31 0.11 117.51 119.25 1ced h ILE 37 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1ced h ILE 37 Cb 1.37 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ced h ILE 37 CO 0.13 0.00 0.04 -0.33 0.00 0.00 0.00 178.15 177.99 1ced h GLU 38 N -0.88 0.20 0.26 2.37 5.08 -0.72 0.30 114.58 121.20 1ced h GLU 38 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ced h GLU 38 Cb 0.79 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ced h GLU 38 CO -0.10 0.19 -0.13 1.96 -1.00 0.00 0.00 179.01 179.93 1ced h GLN 39 N 0.20 -0.34 0.19 2.33 4.20 -1.35 -3.43 115.11 116.92 1ced h GLN 39 Ca 0.05 0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.46 1ced h GLN 39 Cb 0.08 0.08 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1ced h GLN 39 CO -0.00 -0.23 -1.54 0.74 -0.67 0.00 0.00 178.83 177.13 1ced h PHE 40 N -0.60 0.75 -1.97 2.96 0.04 -0.10 -3.44 116.94 114.58 1ced h PHE 40 Ca -0.04 -0.55 -0.57 0.00 2.80 0.00 0.00 57.97 59.62 1ced h PHE 40 Cb 0.27 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1ced h PHE 40 CO 0.06 1.60 1.51 -1.17 -0.60 0.00 0.00 178.31 179.70 1ced s LEU 41 N -7.48 3.43 0.06 1.54 1.98 0.10 -4.90 118.68 113.41 1ced s LEU 41 Ca -0.14 1.75 -0.12 0.00 -2.89 0.00 0.00 54.13 52.73 1ced s LEU 41 Cb 0.04 -3.37 -0.03 0.00 0.66 0.00 0.00 46.19 43.49 1ced s LEU 41 CO 0.87 -2.09 0.86 -0.90 -1.89 0.00 0.00 176.35 173.20 1ced n ASP 42 N 12.26 -0.40 0.00 3.68 5.68 -1.26 -0.49 116.55 136.02 1ced n ASP 42 Ca 0.31 0.95 0.12 0.00 -0.50 0.00 0.00 54.79 55.66 1ced n ASP 42 Cb 0.46 -0.23 0.69 0.00 -1.14 0.00 0.00 41.12 40.91 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 -1.09 -0.83 4.38 6.12 0.00 -1.26 -5.01 105.19 107.49 1ced n GLY 43 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.56 -2.07 3.04 -0.02 0.00 0.35 -4.33 105.19 102.72 1ced n GLY 44 Ca 0.17 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.68 2.49 -4.17 1.61 7.35 -1.26 -4.62 117.46 118.18 1ced n PHE 45 Ca 0.00 -2.16 -0.16 0.00 -0.76 0.00 0.00 57.45 54.37 1ced n PHE 45 Cb 0.03 -2.04 -0.13 0.00 0.35 0.00 0.00 39.48 37.69 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 4.54 0.94 0.07 -2.13 0.01 -1.26 -5.07 114.94 112.05 1ced s ASN 46 Ca 0.55 -0.35 -0.22 0.00 -0.71 0.00 0.00 52.86 52.13 1ced s ASN 46 Cb 0.13 -0.04 -0.14 0.00 0.41 0.00 0.00 41.25 41.62 1ced s ASN 46 CO 0.06 -0.04 1.61 0.40 -1.51 0.00 0.00 177.10 177.62 1ced h ILE 47 N 4.71 1.13 -0.76 0.60 1.08 -1.95 -0.37 117.51 121.95 1ced h ILE 47 Ca -0.33 -0.39 0.09 0.00 -0.39 0.00 0.00 64.86 63.84 1ced h ILE 47 Cb 1.19 1.26 -0.12 0.00 -3.07 0.00 0.00 36.82 36.08 1ced h ILE 47 CO 0.45 0.11 -0.50 -0.33 -0.69 0.00 0.00 178.15 177.19 1ced h GLU 48 N -0.03 -0.14 -0.30 2.37 3.07 -1.97 0.20 114.58 117.79 1ced h GLU 48 Ca 0.02 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.95 1ced h GLU 48 Cb 0.15 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 1ced h GLU 48 CO -0.00 -0.09 -0.01 0.00 -1.40 0.00 0.00 179.01 177.50 1ced h ALA 49 N 0.59 0.26 0.55 3.43 0.00 -1.72 0.10 119.26 122.46 1ced h ALA 49 Ca 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ced h ALA 49 Cb 0.52 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ced h ALA 49 CO -0.81 -0.42 -0.43 0.82 0.00 0.00 0.00 179.25 178.41 1ced h ILE 50 N 0.07 0.13 -0.49 0.00 1.08 -0.10 -2.35 117.51 115.84 1ced h ILE 50 Ca 0.15 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.71 1ced h ILE 50 Cb 0.20 0.13 -0.09 0.00 -3.07 0.00 0.00 36.82 33.99 1ced h ILE 50 CO -0.26 0.00 -0.11 0.58 -0.69 0.00 0.00 178.15 177.68 1ced h VAL 51 N -0.96 0.52 -0.68 1.67 2.07 -0.29 -0.32 116.25 118.26 1ced h VAL 51 Ca -0.06 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.60 1ced h VAL 51 Cb 0.81 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 1ced h VAL 51 CO 0.00 0.00 0.12 0.22 0.02 0.00 0.00 177.57 177.93 1ced h TYR 52 N 0.01 0.18 0.45 1.57 3.20 -0.68 0.32 116.97 122.01 1ced h TYR 52 Ca 0.24 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1ced h TYR 52 Cb 0.37 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1ced h TYR 52 CO -0.41 -0.10 -0.36 0.37 -1.64 0.00 0.00 178.16 176.03 1ced h GLN 53 N 0.23 -0.77 -0.63 1.82 5.75 -0.52 -2.15 115.11 118.84 1ced h GLN 53 Ca 0.37 0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.99 1ced h GLN 53 Cb 0.62 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.28 1ced h GLN 53 CO -0.50 -0.51 0.32 0.82 -2.65 0.00 0.00 178.83 176.31 1ced h ILE 54 N -0.80 0.91 0.00 2.39 5.03 -0.84 0.06 117.51 124.27 1ced h ILE 54 Ca -0.04 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1ced h ILE 54 Cb 0.69 0.27 0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1ced h ILE 54 CO -0.01 0.11 0.00 1.21 -0.68 0.00 0.00 178.15 178.78 1ced n GLU 55 N -4.85 0.00 0.00 2.37 2.13 0.10 -0.62 120.64 119.78 1ced n GLU 55 Ca 0.08 0.41 0.11 0.00 0.66 0.00 0.00 57.16 58.43 1ced n GLU 55 Cb 0.20 -1.28 0.09 0.00 0.27 0.00 0.00 31.44 30.72 1ced n GLU 55 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ced n ASN 56 N -1.55 1.15 0.00 4.31 0.23 -0.83 -0.71 115.26 117.85 1ced n ASN 56 Ca 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 1ced n ASN 56 Cb 0.00 0.53 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 1.45 -2.03 0.00 4.83 0.00 0.01 -4.38 105.19 105.06 1ced n GLY 57 Ca 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.57 0.00 -1.68 1.61 3.00 -0.03 -4.89 118.16 114.61 1ced n LYS 58 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 58.31 57.82 1ced n LYS 58 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 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 0.00 1.45 3.71 3.14 0.00 -1.26 -0.95 105.19 111.29 1ced n GLY 59 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 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 6.63 -0.95 -3.85 4.61 0.00 -1.26 -4.92 120.51 120.77 1ced n ALA 60 Ca 0.23 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 1ced n ALA 60 Cb 0.29 -1.82 -0.16 0.00 0.00 0.00 0.00 19.45 17.76 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 -5.77 1.23 0.56 0.00 0.00 -0.12 -5.02 119.30 110.18 1ced s MET 61 Ca 0.59 -0.57 -0.20 0.00 0.00 0.00 0.00 55.69 55.51 1ced s MET 61 Cb -0.34 -2.13 -0.05 0.00 0.00 0.00 0.00 34.83 32.31 1ced s MET 61 CO 0.72 -0.52 1.21 -1.25 0.00 0.00 0.00 175.02 175.18 1ced s PRO 62 N 1.65 3.15 0.67 4.11 0.04 -1.26 -0.85 135.00 142.52 1ced s PRO 62 Ca -0.01 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1ced s PRO 62 Cb -0.16 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1ced s PRO 62 CO -0.07 -1.07 1.18 0.00 0.04 0.00 0.00 177.00 177.08 1ced s ALA 63 N -1.57 2.33 0.00 8.56 0.00 -1.26 -4.50 121.76 125.31 1ced s ALA 63 Ca 0.74 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1ced s ALA 63 Cb -0.30 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ced s ALA 63 CO 0.34 -1.51 0.50 0.91 0.00 0.00 0.00 175.76 176.00 1ced n TRP 64 N -2.34 0.00 -1.52 0.00 7.02 0.21 -4.91 117.44 115.90 1ced n TRP 64 Ca 0.12 -0.01 -0.50 0.00 -1.02 0.00 0.00 57.50 56.10 1ced n TRP 64 Cb 0.51 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.35 1ced n TRP 64 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1ced n ASP 65 N -0.01 0.51 0.00 -0.99 2.03 0.11 -1.09 116.55 117.11 1ced n ASP 65 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1ced n ASP 65 Cb 0.00 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 1ced n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ced n GLY 66 N 1.86 0.44 0.13 0.27 0.00 -1.26 -4.65 105.19 101.97 1ced n GLY 66 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.97 0.71 -4.04 1.61 1.74 -0.25 -4.91 116.66 109.54 1ced n ARG 67 Ca 0.00 0.28 -0.27 0.00 -0.77 0.00 0.00 57.85 57.08 1ced n ARG 67 Cb 0.00 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.72 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 -7.05 3.92 0.98 0.55 1.43 -0.77 -5.13 118.68 112.61 1ced s LEU 68 Ca -0.26 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1ced s LEU 68 Cb 0.07 -2.54 0.18 0.00 0.03 0.00 0.00 46.19 43.93 1ced s LEU 68 CO 0.71 0.09 1.10 -0.62 0.23 0.00 0.00 176.35 177.86 1ced s ASP 69 N -2.95 2.76 0.09 2.29 -1.08 -1.26 -4.79 116.67 111.73 1ced s ASP 69 Ca 0.31 1.17 -0.20 0.00 -0.52 0.00 0.00 52.55 53.31 1ced s ASP 69 Cb -0.11 -1.82 -0.09 0.00 -1.46 0.00 0.00 42.92 39.44 1ced s ASP 69 CO 0.24 -3.05 1.63 -0.33 0.52 0.00 0.00 175.17 174.18 1ced h GLU 70 N -1.83 0.30 -0.19 4.34 5.08 -1.99 0.12 114.58 120.40 1ced h GLU 70 Ca -0.54 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1ced h GLU 70 Cb 1.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1ced h GLU 70 CO 0.58 0.37 0.09 0.22 -1.00 0.00 0.00 179.01 179.28 1ced h ASP 71 N 0.16 0.25 0.40 1.42 1.82 -1.98 0.02 116.42 118.51 1ced h ASP 71 Ca 0.07 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1ced h ASP 71 Cb 0.19 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 1ced h ASP 71 CO -0.00 0.30 -0.46 -0.08 -1.61 0.00 0.00 179.24 177.39 1ced h GLU 72 N 0.19 -0.84 -0.72 0.28 4.81 -1.91 0.24 114.58 116.63 1ced h GLU 72 Ca 0.07 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1ced h GLU 72 Cb 0.11 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.57 1ced h GLU 72 CO -0.01 -0.56 -0.47 0.82 -0.73 0.00 0.00 179.01 178.07 1ced h ILE 73 N -0.87 0.05 -0.83 2.32 1.08 -0.70 0.96 117.51 119.52 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 0.77 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1ced h ILE 73 CO -0.09 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 177.92 1ced h ALA 74 N 0.68 1.59 -0.10 1.87 0.00 -0.58 -0.88 119.26 121.84 1ced h ALA 74 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ced h ALA 74 Cb 0.54 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ced h ALA 74 CO -0.78 0.28 -0.09 0.78 0.00 0.00 0.00 179.25 179.44 1ced h GLY 75 N 0.91 0.25 0.98 0.00 0.00 0.14 -0.27 103.07 105.08 1ced h GLY 75 Ca 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1ced h GLY 75 CO -0.13 0.23 0.23 -0.24 0.00 0.00 0.00 176.54 176.63 1ced h VAL 76 N -0.17 1.22 0.24 4.60 3.04 -0.57 0.20 116.25 124.81 1ced h VAL 76 Ca 0.02 -0.65 0.01 0.00 -1.01 0.00 0.00 66.70 65.06 1ced h VAL 76 Cb 0.59 0.62 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1ced h VAL 76 CO 0.02 0.25 -0.30 0.00 -1.01 0.00 0.00 177.57 176.54 1ced h ALA 77 N 1.08 -0.59 -0.68 3.17 0.00 -1.13 -0.85 119.26 120.26 1ced h ALA 77 Ca 0.18 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1ced h ALA 77 Cb 0.18 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1ced h ALA 77 CO -0.02 -0.87 0.25 0.00 0.00 0.00 0.00 179.25 178.61 1ced h ALA 78 N 0.02 0.91 0.18 0.00 0.00 -0.63 0.41 119.26 120.15 1ced h ALA 78 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 78 Cb 0.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ced h ALA 78 CO -0.09 -0.22 -0.09 -0.92 0.00 0.00 0.00 179.25 177.93 1ced h TYR 79 N 0.40 -0.22 -0.60 0.00 3.20 -0.36 0.13 116.97 119.52 1ced h TYR 79 Ca 0.36 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.32 1ced h TYR 79 Cb 0.52 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 1ced h TYR 79 CO -0.18 -0.10 0.23 0.28 -1.64 0.00 0.00 178.16 176.74 1ced h VAL 80 N -0.28 0.78 -0.10 1.81 2.07 -0.73 0.11 116.25 119.91 1ced h VAL 80 Ca -0.02 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1ced h VAL 80 Cb 0.22 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1ced h VAL 80 CO 0.04 0.07 -0.07 0.22 0.02 0.00 0.00 177.57 177.86 1ced h TYR 81 N 0.41 -0.16 0.09 1.57 5.03 -0.45 -0.39 116.97 123.06 1ced h TYR 81 Ca 0.30 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.64 1ced h TYR 81 Cb 0.36 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.69 1ced h TYR 81 CO -0.16 -0.11 -0.22 0.22 -1.32 0.00 0.00 178.16 176.56 1ced h ASP 82 N -0.07 -0.63 -0.27 -2.11 3.58 -0.19 0.14 116.42 116.87 1ced h ASP 82 Ca 0.06 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1ced h ASP 82 Cb 0.17 0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.39 1ced h ASP 82 CO -0.15 -0.31 -0.25 1.56 -2.88 0.00 0.00 179.24 177.21 1ced h GLN 83 N -0.40 -0.24 0.30 0.28 1.08 -0.56 0.77 115.11 116.34 1ced h GLN 83 Ca 0.04 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1ced h GLN 83 Cb 0.44 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1ced h GLN 83 CO -0.14 -0.16 -0.14 0.00 -0.95 0.00 0.00 178.83 177.44 1ced h ALA 84 N 0.80 -0.40 -0.01 3.87 0.00 -0.89 0.14 119.26 122.78 1ced h ALA 84 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ced h ALA 84 Cb 0.47 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1ced h ALA 84 CO -0.41 -0.66 -0.22 0.00 0.00 0.00 0.00 179.25 177.95 1ced h ALA 85 N 0.15 -0.28 0.00 0.00 0.00 -0.46 -1.25 119.26 117.42 1ced h ALA 85 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ced h ALA 85 Cb 0.39 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ced h ALA 85 CO 0.07 -0.72 -0.06 0.78 0.00 0.00 0.00 179.25 179.32 1ced h GLY 86 N -0.35 0.00 -5.76 0.00 0.00 -0.87 -3.47 103.07 92.62 1ced h GLY 86 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.06 1ced h GLY 86 CO -0.21 0.00 -0.83 -2.01 0.00 0.00 0.00 176.54 173.49 1ced n ASN 87 N -3.21 -3.68 -0.56 0.19 5.15 0.34 -4.94 115.26 108.54 1ced n ASN 87 Ca -0.00 -0.74 0.06 0.00 -0.60 0.00 0.00 54.58 53.29 1ced n ASN 87 Cb 0.31 -4.69 0.19 0.00 -0.53 0.00 0.00 39.78 35.06 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 -3.88 1.63 0.00 1.20 2.85 -0.36 -5.03 118.16 114.57 1ced n LYS 88 Ca -0.20 -3.05 0.06 0.00 -1.05 0.00 0.00 58.31 54.06 1ced n LYS 88 Cb 0.65 -1.63 0.33 0.00 -0.65 0.00 0.00 35.03 33.73 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26