#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 4.81 -1.78 0.62 0.00 -1.26 -4.79 120.51 118.11 1ced n ALA 2 Ca 0.00 -2.17 -0.33 0.00 0.00 0.00 0.00 53.44 50.94 1ced n ALA 2 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 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 3.42 6.41 0.12 0.00 2.15 -1.26 -4.62 116.67 122.90 1ced s ASP 3 Ca 0.42 1.76 -0.07 0.00 0.43 0.00 0.00 52.55 55.10 1ced s ASP 3 Cb 0.11 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 40.09 1ced s ASP 3 CO -0.03 -0.73 1.31 -0.07 -0.17 0.00 0.00 175.17 175.48 1ced h LEU 4 N 1.23 0.66 -0.15 -1.34 3.38 -1.91 0.19 115.31 117.36 1ced h LEU 4 Ca -0.48 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 56.89 1ced h LEU 4 Cb 1.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1ced h LEU 4 CO 0.60 1.28 -0.29 0.00 0.09 0.00 0.00 178.44 180.12 1ced h ALA 5 N 0.68 0.24 0.02 1.53 0.00 -1.94 0.29 119.26 120.08 1ced h ALA 5 Ca -0.08 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1ced h ALA 5 Cb 1.52 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1ced h ALA 5 CO 0.16 0.25 -0.44 1.25 0.00 0.00 0.00 179.25 180.47 1ced h LEU 6 N 0.09 -1.35 -0.77 0.00 5.85 -1.94 0.10 115.31 117.29 1ced h LEU 6 Ca 0.01 0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.04 1ced h LEU 6 Cb 0.88 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 42.33 1ced h LEU 6 CO 0.07 -0.48 0.28 1.23 -0.34 0.00 0.00 178.44 179.20 1ced h GLY 7 N -0.61 1.16 0.94 3.75 0.00 -0.84 -0.14 103.07 107.33 1ced h GLY 7 Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1ced h GLY 7 CO -0.32 -0.14 -0.31 1.70 0.00 0.00 0.00 176.54 177.47 1ced h LYS 8 N 0.40 -0.79 -0.75 4.80 3.64 0.12 0.10 116.57 124.08 1ced h LYS 8 Ca 0.43 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 60.03 1ced h LYS 8 Cb 0.70 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.58 1ced h LYS 8 CO -0.44 -0.53 0.19 0.00 -2.27 0.00 0.00 179.45 176.40 1ced h ALA 9 N -0.42 0.99 0.59 5.00 0.00 0.24 0.26 119.26 125.91 1ced h ALA 9 Ca -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 9 Cb 0.65 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ced h ALA 9 CO 0.10 -0.34 -0.29 0.28 0.00 0.00 0.00 179.25 179.00 1ced h VAL 10 N 0.28 0.40 -0.27 0.00 2.07 -0.91 -2.87 116.25 114.95 1ced h VAL 10 Ca 0.43 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.99 1ced h VAL 10 Cb 0.74 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1ced h VAL 10 CO -0.52 0.00 -0.53 0.15 0.02 0.00 0.00 177.57 176.70 1ced h PHE 11 N -0.80 -1.57 -0.99 1.57 3.57 0.12 0.17 116.94 119.00 1ced h PHE 11 Ca -0.08 0.07 0.29 0.00 3.53 0.00 0.00 57.97 61.78 1ced h PHE 11 Cb 0.62 0.72 -0.14 0.00 2.79 0.00 0.00 35.95 39.95 1ced h PHE 11 CO -0.04 -0.51 0.54 -0.44 -2.23 0.00 0.00 178.31 175.63 1ced h ASP 12 N -0.48 0.52 0.11 0.41 5.19 -0.65 0.20 116.42 121.73 1ced h ASP 12 Ca 0.07 0.17 -0.23 0.00 -0.62 0.00 0.00 57.03 56.42 1ced h ASP 12 Cb 0.64 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1ced h ASP 12 CO -0.51 -0.06 -1.13 1.23 -3.12 0.00 0.00 179.24 175.65 1ced h GLY 13 N 0.40 0.26 0.00 2.75 0.00 -0.99 -3.41 103.07 102.09 1ced h GLY 13 Ca 0.69 -0.68 -0.32 0.00 0.00 0.00 0.00 47.33 47.03 1ced h GLY 13 CO -0.57 0.59 -2.19 0.70 0.00 0.00 0.00 176.54 175.07 1ced n ASN 14 N -4.06 1.76 -0.08 0.19 3.02 0.48 -4.69 115.26 111.88 1ced n ASN 14 Ca -0.21 -0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.15 1ced n ASN 14 Cb 0.84 0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.15 2.47 -0.92 0.00 0.00 -1.26 0.11 119.26 119.51 1ced h ALA 16 Ca -0.36 0.11 0.26 0.00 0.00 0.00 0.00 54.91 54.92 1ced h ALA 16 Cb 1.48 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 19.26 1ced h ALA 16 CO -0.10 -1.04 0.04 0.00 0.00 0.00 0.00 179.25 178.15 1ced n ALA 17 N -2.47 0.49 -0.01 0.00 0.00 -1.26 -0.11 120.51 117.15 1ced n ALA 17 Ca 0.33 0.98 0.03 0.00 0.00 0.00 0.00 53.44 54.78 1ced n ALA 17 Cb 1.21 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.93 0.00 0.00 0.00 8.25 0.01 -0.30 115.22 121.25 1ced n HIS 19 Ca -0.04 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1ced n HIS 19 Cb 0.36 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.93 0.00 -2.65 -1.41 0.00 0.84 0.70 120.51 117.06 1ced n ALA 20 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1ced n ALA 20 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 5.85 2.54 0.00 0.00 -1.26 -4.72 105.19 107.60 1ced n GLY 21 Ca 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.25 0.71 3.29 -0.02 0.00 0.22 -4.90 105.19 104.23 1ced n GLY 22 Ca 0.41 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.36 2.98 -0.49 -0.02 0.00 0.66 -0.73 107.32 107.36 1ced s GLY 23 Ca 0.00 -3.64 -0.35 0.00 0.00 0.00 0.00 44.72 40.73 1ced s GLY 23 CO 0.00 1.27 2.28 -2.01 0.00 0.00 0.00 173.10 174.65 1ced n ASN 24 N 3.12 1.63 0.17 1.64 2.85 -1.25 -4.01 115.26 119.40 1ced n ASN 24 Ca 0.19 0.32 0.06 0.00 -0.11 0.00 0.00 54.58 55.04 1ced n ASN 24 Cb 0.41 -1.18 0.12 0.00 1.24 0.00 0.00 39.78 40.37 1ced n ASN 24 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1ced h ASN 25 N 12.55 0.00 0.00 1.20 -0.00 -0.99 -3.29 115.58 125.05 1ced h ASN 25 Ca -0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.04 1ced h ASN 25 Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.64 1ced h ASN 25 CO 1.10 0.36 -0.36 0.58 -0.00 0.00 0.00 177.43 179.11 1ced h VAL 26 N 0.00 0.92 -3.52 2.57 2.07 -1.88 -3.41 116.25 113.00 1ced h VAL 26 Ca -0.00 -1.81 -0.67 0.00 0.82 0.00 0.00 66.70 65.04 1ced h VAL 26 Cb 1.21 1.86 -0.38 0.00 -1.52 0.00 0.00 31.29 32.47 1ced h VAL 26 CO 0.05 0.31 -0.55 -0.63 0.02 0.00 0.00 177.57 176.77 1ced s ILE 27 N -2.10 3.01 0.28 4.57 1.01 -1.26 -5.03 121.20 121.69 1ced s ILE 27 Ca -0.16 -2.73 -0.04 0.00 0.00 0.00 0.00 60.65 57.72 1ced s ILE 27 Cb 0.00 -3.06 0.41 0.00 0.01 0.00 0.00 42.46 39.82 1ced s ILE 27 CO 0.44 -0.76 1.58 -0.65 0.00 0.00 0.00 174.94 175.55 1ced h PRO 28 N 7.23 0.01 0.00 2.79 0.11 -1.81 -0.30 132.00 140.03 1ced h PRO 28 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ced h PRO 28 Cb 0.97 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ced h PRO 28 CO 0.66 0.01 -0.39 0.38 -0.21 0.00 0.00 178.00 178.46 1ced h ASP 29 N 0.02 0.00 -0.51 -2.05 2.03 -1.96 -3.39 116.42 110.55 1ced h ASP 29 Ca 0.51 -0.09 -0.41 0.00 -0.73 0.00 0.00 57.03 56.31 1ced h ASP 29 Cb 0.92 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.32 1ced h ASP 29 CO -0.92 0.05 0.63 1.57 -1.03 0.00 0.00 179.24 179.54 1ced n HIS 30 N -2.36 1.11 -1.57 4.15 -0.00 -0.12 -4.92 115.22 111.51 1ced n HIS 30 Ca 0.04 -1.97 -0.30 0.00 0.46 0.00 0.00 57.72 55.96 1ced n HIS 30 Cb 0.46 -1.64 0.10 0.00 -0.12 0.00 0.00 29.99 28.79 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 -0.30 2.80 0.00 3.57 -4.23 -1.26 -4.60 115.64 111.62 1ced s THR 31 Ca 0.63 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1ced s THR 31 Cb 0.32 -3.02 -0.13 0.00 1.34 0.00 0.00 72.50 71.01 1ced s THR 31 CO -0.10 -0.34 2.68 0.18 -0.54 0.00 0.00 174.62 176.50 1ced n LEU 32 N -3.49 5.08 -4.89 4.79 4.77 0.09 -4.41 117.00 118.94 1ced n LEU 32 Ca 0.07 -2.68 -0.32 0.00 -0.03 0.00 0.00 56.01 53.05 1ced n LEU 32 Cb 0.57 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 1ced n LEU 32 CO 0.57 1.28 0.09 -1.10 -1.33 0.00 0.00 177.39 176.89 1ced s GLN 33 N 0.56 3.68 0.11 3.23 -1.52 -1.26 -4.42 119.66 120.04 1ced s GLN 33 Ca 0.31 0.03 -0.34 0.00 -1.95 0.00 0.00 55.36 53.41 1ced s GLN 33 Cb 0.15 -2.80 -0.14 0.00 -0.22 0.00 0.00 33.01 30.00 1ced s GLN 33 CO 0.00 0.43 1.55 -0.22 -0.25 0.00 0.00 175.29 176.80 1ced h LYS 34 N 2.79 -0.64 -0.68 2.91 3.64 -1.90 0.12 116.57 122.81 1ced h LYS 34 Ca -0.46 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.11 1ced h LYS 34 Cb 1.17 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1ced h LYS 34 CO 0.71 -0.43 0.46 0.00 -2.27 0.00 0.00 179.45 177.92 1ced h ALA 35 N -0.44 2.21 0.07 5.00 0.00 -1.95 0.12 119.26 124.27 1ced h ALA 35 Ca 0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1ced h ALA 35 Cb 0.72 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1ced h ALA 35 CO -0.36 -0.39 -0.85 0.00 0.00 0.00 0.00 179.25 177.64 1ced h ALA 36 N 1.67 0.01 0.13 0.00 0.00 -1.52 -2.33 119.26 117.22 1ced h ALA 36 Ca 0.33 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ced h ALA 36 Cb 0.86 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1ced h ALA 36 CO -0.08 0.46 -0.35 0.82 0.00 0.00 0.00 179.25 180.11 1ced h ILE 37 N -0.05 0.27 -0.23 0.00 2.04 -0.17 0.14 117.51 119.52 1ced h ILE 37 Ca -0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1ced h ILE 37 Cb 1.58 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1ced h ILE 37 CO 0.16 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 178.08 1ced h GLU 38 N -0.58 0.31 0.23 2.37 5.08 -0.74 0.21 114.58 121.45 1ced h GLU 38 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ced h GLU 38 Cb 0.61 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ced h GLU 38 CO -0.20 0.26 -0.11 1.96 -1.00 0.00 0.00 179.01 179.92 1ced h GLN 39 N 0.32 -0.29 0.21 2.33 4.20 -1.31 -3.43 115.11 117.13 1ced h GLN 39 Ca 0.08 0.02 -0.34 0.00 0.06 0.00 0.00 58.65 58.48 1ced h GLN 39 Cb 0.06 0.07 0.02 0.00 0.30 0.00 0.00 27.48 27.93 1ced h GLN 39 CO -0.01 -0.19 -1.59 0.74 -0.67 0.00 0.00 178.83 177.11 1ced h PHE 40 N -0.62 0.80 -2.30 2.96 0.04 -0.23 -3.45 116.94 114.14 1ced h PHE 40 Ca -0.03 -0.58 -0.55 0.00 2.80 0.00 0.00 57.97 59.61 1ced h PHE 40 Cb 0.23 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.36 1ced h PHE 40 CO 0.04 1.62 1.29 -1.17 -0.60 0.00 0.00 178.31 179.49 1ced s LEU 41 N -7.46 4.16 -0.52 1.54 1.98 0.68 -4.86 118.68 114.20 1ced s LEU 41 Ca -0.14 2.41 -0.16 0.00 -2.89 0.00 0.00 54.13 53.36 1ced s LEU 41 Cb 0.05 -3.53 -0.15 0.00 0.66 0.00 0.00 46.19 43.22 1ced s LEU 41 CO 0.88 -1.29 1.75 -0.90 -1.89 0.00 0.00 176.35 174.91 1ced n ASP 42 N 8.61 2.41 0.00 3.68 5.75 -1.26 -2.27 116.55 133.47 1ced n ASP 42 Ca 0.22 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1ced n ASP 42 Cb 0.42 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 4.34 0.60 0.00 6.12 0.00 -1.26 -5.01 105.19 109.99 1ced n GLY 43 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -0.48 3.10 -0.02 0.00 -0.96 -4.69 105.19 102.14 1ced n GLY 44 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.52 2.96 -4.00 1.61 7.35 -1.26 -4.67 117.46 118.94 1ced n PHE 45 Ca 0.00 -2.32 -0.09 0.00 -0.76 0.00 0.00 57.45 54.29 1ced n PHE 45 Cb 0.00 -2.26 -0.11 0.00 0.35 0.00 0.00 39.48 37.46 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 4.46 0.29 0.21 -2.13 2.20 -1.26 -5.05 114.94 113.65 1ced s ASN 46 Ca 0.55 -0.60 -0.09 0.00 -0.94 0.00 0.00 52.86 51.77 1ced s ASN 46 Cb 0.11 0.12 0.29 0.00 -2.00 0.00 0.00 41.25 39.77 1ced s ASN 46 CO 0.04 -0.36 1.75 0.40 -2.94 0.00 0.00 177.10 175.99 1ced h ILE 47 N 4.34 0.77 -0.14 0.54 1.08 -1.96 -2.09 117.51 120.05 1ced h ILE 47 Ca -0.32 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 1ced h ILE 47 Cb 1.20 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 1ced h ILE 47 CO 0.46 0.08 -0.47 -0.33 -0.69 0.00 0.00 178.15 177.20 1ced h GLU 48 N 0.42 -0.47 -0.59 2.37 3.07 -1.96 0.15 114.58 117.55 1ced h GLU 48 Ca 0.31 0.03 0.12 0.00 -0.50 0.00 0.00 59.36 59.33 1ced h GLU 48 Cb 0.39 0.11 -0.11 0.00 -0.84 0.00 0.00 28.75 28.29 1ced h GLU 48 CO -0.31 -0.32 -0.12 0.00 -1.40 0.00 0.00 179.01 176.87 1ced h ALA 49 N -0.44 0.43 0.67 3.43 0.00 -1.76 0.10 119.26 121.70 1ced h ALA 49 Ca 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1ced h ALA 49 Cb 0.58 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ced h ALA 49 CO -0.39 -0.42 -0.49 0.82 0.00 0.00 0.00 179.25 178.77 1ced h ILE 50 N 0.02 0.03 -0.43 0.00 1.08 -0.58 -0.85 117.51 116.78 1ced h ILE 50 Ca 0.29 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.85 1ced h ILE 50 Cb 0.45 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.14 1ced h ILE 50 CO -0.59 0.00 -0.22 0.58 -0.69 0.00 0.00 178.15 177.24 1ced h VAL 51 N -1.11 0.37 -0.65 1.67 2.07 -0.30 0.06 116.25 118.36 1ced h VAL 51 Ca -0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.57 1ced h VAL 51 Cb 0.92 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 1ced h VAL 51 CO 0.04 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 177.83 1ced h TYR 52 N -0.13 -0.07 0.43 1.57 3.20 -0.68 0.36 116.97 121.64 1ced h TYR 52 Ca 0.21 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1ced h TYR 52 Cb 0.45 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1ced h TYR 52 CO -0.47 -0.19 -0.26 0.37 -1.64 0.00 0.00 178.16 175.97 1ced h GLN 53 N 0.10 -0.63 -0.65 1.82 5.75 0.47 -2.72 115.11 119.25 1ced h GLN 53 Ca 0.34 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.96 1ced h GLN 53 Cb 0.56 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.20 1ced h GLN 53 CO -0.57 -0.42 0.33 0.82 -2.65 0.00 0.00 178.83 176.34 1ced h ILE 54 N -0.66 0.91 0.00 2.39 5.03 -0.55 -0.72 117.51 123.91 1ced h ILE 54 Ca -0.05 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1ced h ILE 54 Cb 0.54 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 1ced h ILE 54 CO 0.05 0.11 0.00 1.21 -0.68 0.00 0.00 178.15 178.84 1ced n GLU 55 N -4.85 0.00 0.09 2.37 2.13 0.12 -0.73 120.64 119.77 1ced n GLU 55 Ca 0.09 0.30 0.09 0.00 0.66 0.00 0.00 57.16 58.30 1ced n GLU 55 Cb 0.21 -1.21 -0.01 0.00 0.27 0.00 0.00 31.44 30.69 1ced n GLU 55 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1ced h ASN 56 N 0.00 0.00 -4.00 4.31 7.08 -1.55 0.12 115.58 121.55 1ced h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ced h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1ced h ASN 56 CO 0.00 0.12 -0.31 0.61 -2.08 0.00 0.00 177.43 175.77 1ced n GLY 57 N 1.22 -3.42 2.41 9.14 0.00 -0.28 -4.17 105.19 110.09 1ced n GLY 57 Ca -0.02 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.32 1.05 0.00 1.61 4.01 -1.19 -4.84 118.16 117.47 1ced n LYS 58 Ca 0.00 -2.46 0.00 0.00 -0.51 0.00 0.00 58.31 55.34 1ced n LYS 58 Cb 0.06 0.83 0.00 0.00 -0.51 0.00 0.00 35.03 35.41 1ced n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ced n GLY 59 N 0.73 0.09 1.01 0.72 0.00 -1.26 -0.55 105.19 105.92 1ced n GLY 59 Ca -0.12 0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.92 3.40 -3.72 4.61 0.00 -1.26 -5.02 120.51 119.44 1ced n ALA 60 Ca 0.00 -3.08 -0.33 0.00 0.00 0.00 0.00 53.44 50.03 1ced n ALA 60 Cb 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.44 3.16 0.38 0.00 0.00 0.28 -5.07 119.30 115.60 1ced s MET 61 Ca 0.38 -0.76 -0.26 0.00 0.00 0.00 0.00 55.69 55.04 1ced s MET 61 Cb 0.38 -2.68 -0.09 0.00 0.00 0.00 0.00 34.83 32.44 1ced s MET 61 CO -0.09 -0.12 1.21 -1.25 0.00 0.00 0.00 175.02 174.78 1ced s PRO 62 N 1.14 4.16 0.76 4.11 0.04 -1.26 -3.19 135.00 140.76 1ced s PRO 62 Ca 0.01 1.96 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1ced s PRO 62 Cb -0.14 -2.82 0.05 0.00 0.04 0.00 0.00 34.50 31.63 1ced s PRO 62 CO -0.06 -0.27 1.21 0.00 0.04 0.00 0.00 177.00 177.92 1ced n ALA 63 N 0.34 0.24 0.03 8.56 0.00 -1.26 -4.62 120.51 123.80 1ced n ALA 63 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ced n ALA 63 Cb 0.45 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 -2.90 0.00 -1.55 0.00 7.02 0.16 -4.93 117.44 115.24 1ced n TRP 64 Ca 0.14 -0.01 -0.54 0.00 -1.02 0.00 0.00 57.50 56.07 1ced n TRP 64 Cb 0.50 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.32 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 0.03 0.88 0.00 -0.99 2.03 0.18 -0.92 116.55 117.77 1ced n ASP 65 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1ced n ASP 65 Cb 0.02 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 2.06 0.46 0.13 0.27 0.00 -1.26 -4.68 105.19 102.17 1ced n GLY 66 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.69 -4.02 1.61 1.74 -0.10 -4.92 116.66 109.66 1ced n ARG 67 Ca 0.00 0.27 -0.27 0.00 -0.77 0.00 0.00 57.85 57.08 1ced n ARG 67 Cb 0.00 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 29.76 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 -7.03 4.04 0.97 0.55 1.43 -0.74 -5.13 118.68 112.78 1ced s LEU 68 Ca -0.29 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1ced s LEU 68 Cb 0.08 -2.64 0.17 0.00 0.03 0.00 0.00 46.19 43.83 1ced s LEU 68 CO 0.67 0.08 1.10 -0.62 0.23 0.00 0.00 176.35 177.81 1ced s ASP 69 N -3.03 2.89 0.11 2.29 -1.08 -1.26 -4.79 116.67 111.80 1ced s ASP 69 Ca 0.32 1.22 -0.19 0.00 -0.52 0.00 0.00 52.55 53.39 1ced s ASP 69 Cb -0.11 -1.88 -0.05 0.00 -1.46 0.00 0.00 42.92 39.42 1ced s ASP 69 CO 0.25 -2.97 1.69 -0.33 0.52 0.00 0.00 175.17 174.34 1ced h GLU 70 N -1.78 0.38 -0.31 4.34 5.08 -1.99 0.12 114.58 120.42 1ced h GLU 70 Ca -0.53 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 1ced h GLU 70 Cb 1.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1ced h GLU 70 CO 0.57 0.37 0.08 0.22 -1.00 0.00 0.00 179.01 179.25 1ced h ASP 71 N 0.31 0.47 0.53 1.42 3.58 -1.95 0.09 116.42 120.87 1ced h ASP 71 Ca 0.09 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1ced h ASP 71 Cb 0.10 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1ced h ASP 71 CO -0.01 0.58 -0.49 -0.08 -2.88 0.00 0.00 179.24 176.36 1ced h GLU 72 N 0.34 -0.97 -0.77 0.28 4.81 -1.88 0.18 114.58 116.58 1ced h GLU 72 Ca 0.10 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.50 1ced h GLU 72 Cb 0.29 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 29.77 1ced h GLU 72 CO 0.00 -0.65 -0.46 0.82 -0.73 0.00 0.00 179.01 177.99 1ced h ILE 73 N -1.01 0.04 -0.83 2.32 1.08 -0.70 0.55 117.51 118.96 1ced h ILE 73 Ca -0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 1ced h ILE 73 Cb 0.86 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 1ced h ILE 73 CO -0.04 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 177.97 1ced h ALA 74 N 0.75 1.60 -0.07 1.87 0.00 -0.57 -0.30 119.26 122.54 1ced h ALA 74 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ced h ALA 74 Cb 0.54 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ced h ALA 74 CO -0.81 0.27 -0.05 0.78 0.00 0.00 0.00 179.25 179.44 1ced h GLY 75 N 0.91 0.18 1.00 0.00 0.00 0.12 -0.34 103.07 104.94 1ced h GLY 75 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1ced h GLY 75 CO -0.13 0.15 0.27 -0.24 0.00 0.00 0.00 176.54 176.59 1ced h VAL 76 N -0.23 1.23 0.24 4.60 3.04 -0.59 0.13 116.25 124.66 1ced h VAL 76 Ca 0.02 -0.69 0.01 0.00 -1.01 0.00 0.00 66.70 65.02 1ced h VAL 76 Cb 0.52 0.51 -0.04 0.00 -2.01 0.00 0.00 31.29 30.27 1ced h VAL 76 CO 0.01 0.28 -0.40 0.00 -1.01 0.00 0.00 177.57 176.45 1ced h ALA 77 N 1.11 -0.78 -0.60 3.17 0.00 -1.02 -0.90 119.26 120.24 1ced h ALA 77 Ca 0.21 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1ced h ALA 77 Cb 0.18 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1ced h ALA 77 CO -0.02 -0.99 0.10 0.00 0.00 0.00 0.00 179.25 178.33 1ced h ALA 78 N -0.26 0.69 0.32 0.00 0.00 -0.51 0.69 119.26 120.19 1ced h ALA 78 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ced h ALA 78 Cb 0.69 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ced h ALA 78 CO -0.16 -0.33 -0.22 -0.92 0.00 0.00 0.00 179.25 177.61 1ced h TYR 79 N 0.22 -0.57 -0.68 0.00 3.20 -0.56 0.11 116.97 118.69 1ced h TYR 79 Ca 0.32 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.28 1ced h TYR 79 Cb 0.49 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.90 1ced h TYR 79 CO -0.28 -0.34 0.32 0.28 -1.64 0.00 0.00 178.16 176.51 1ced h VAL 80 N -0.53 0.83 -0.12 1.81 2.07 -0.70 0.11 116.25 119.71 1ced h VAL 80 Ca -0.03 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1ced h VAL 80 Cb 0.45 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ced h VAL 80 CO 0.02 0.10 -0.00 0.22 0.02 0.00 0.00 177.57 177.92 1ced h TYR 81 N 0.55 -0.01 0.16 1.57 3.20 -0.45 -0.28 116.97 121.71 1ced h TYR 81 Ca 0.34 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.23 1ced h TYR 81 Cb 0.37 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1ced h TYR 81 CO -0.12 -0.02 -0.25 0.22 -1.64 0.00 0.00 178.16 176.34 1ced h ASP 82 N 0.04 -0.71 -0.44 -2.11 3.58 -0.05 0.22 116.42 116.95 1ced h ASP 82 Ca 0.06 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.67 1ced h ASP 82 Cb 0.07 0.26 -0.10 0.00 1.72 0.00 0.00 39.33 41.29 1ced h ASP 82 CO -0.10 -0.35 -0.30 1.56 -2.88 0.00 0.00 179.24 177.17 1ced h GLN 83 N -0.49 -0.20 -0.42 0.28 1.08 -0.56 0.15 115.11 114.95 1ced h GLN 83 Ca 0.02 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1ced h GLN 83 Cb 0.49 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1ced h GLN 83 CO -0.12 -0.13 0.10 0.00 -0.95 0.00 0.00 178.83 177.73 1ced h ALA 84 N 0.90 0.55 0.65 3.87 0.00 -0.83 0.42 119.26 124.82 1ced h ALA 84 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ced h ALA 84 Cb 0.52 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ced h ALA 84 CO -0.56 0.23 -0.31 0.00 0.00 0.00 0.00 179.25 178.61 1ced h ALA 85 N 0.96 -0.87 0.00 0.00 0.00 0.15 -2.54 119.26 116.96 1ced h ALA 85 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ced h ALA 85 Cb 0.31 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ced h ALA 85 CO 0.00 -0.86 -0.08 0.78 0.00 0.00 0.00 179.25 179.09 1ced h GLY 86 N -1.13 0.00 -3.82 0.00 0.00 -0.84 -3.47 103.07 93.81 1ced h GLY 86 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.02 1ced h GLY 86 CO 0.15 0.00 -0.40 -2.01 0.00 0.00 0.00 176.54 174.28 1ced n ASN 87 N -3.79 -3.91 -1.89 0.19 2.85 0.12 -4.95 115.26 103.88 1ced n ASN 87 Ca -0.02 -0.32 -0.21 0.00 -0.11 0.00 0.00 54.58 53.92 1ced n ASN 87 Cb 0.18 -3.08 0.13 0.00 1.24 0.00 0.00 39.78 38.25 1ced n ASN 87 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1ced n LYS 88 N -2.99 2.51 0.00 1.20 0.00 0.31 -4.98 118.16 114.21 1ced n LYS 88 Ca -0.03 -3.37 0.08 0.00 -0.00 0.00 0.00 58.31 54.98 1ced n LYS 88 Cb 0.55 -2.12 0.48 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