#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 -1.82 -1.72 0.62 0.00 -1.26 -4.91 120.51 111.42 1ced n ALA 2 Ca 0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 1ced n ALA 2 Cb 0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 -4.10 5.89 0.10 0.00 2.15 -1.26 -4.45 116.67 114.99 1ced s ASP 3 Ca 0.19 1.97 -0.06 0.00 0.43 0.00 0.00 52.55 55.09 1ced s ASP 3 Cb -0.11 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.77 1ced s ASP 3 CO 0.94 -1.10 1.22 -0.07 -0.17 0.00 0.00 175.17 175.99 1ced h LEU 4 N 1.00 0.56 -0.14 -1.34 3.38 -1.91 0.41 115.31 117.27 1ced h LEU 4 Ca -0.49 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 56.86 1ced h LEU 4 Cb 1.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ced h LEU 4 CO 0.57 1.34 -0.36 0.00 0.09 0.00 0.00 178.44 180.08 1ced h ALA 5 N 0.61 0.23 -0.08 1.53 0.00 -1.93 0.31 119.26 119.92 1ced h ALA 5 Ca -0.12 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.39 1ced h ALA 5 Cb 1.76 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1ced h ALA 5 CO 0.19 0.30 -0.45 1.25 0.00 0.00 0.00 179.25 180.55 1ced h LEU 6 N 0.09 -1.39 -0.76 0.00 5.85 -1.95 0.10 115.31 117.25 1ced h LEU 6 Ca -0.01 0.17 0.17 0.00 0.84 0.00 0.00 57.88 59.06 1ced h LEU 6 Cb 0.98 0.55 -0.11 0.00 0.37 0.00 0.00 40.66 42.45 1ced h LEU 6 CO 0.08 -0.45 0.19 1.23 -0.34 0.00 0.00 178.44 179.14 1ced h GLY 7 N -0.55 1.07 0.94 3.75 0.00 -0.76 0.17 103.07 107.70 1ced h GLY 7 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1ced h GLY 7 CO -0.38 -0.22 -0.32 1.70 0.00 0.00 0.00 176.54 177.33 1ced h LYS 8 N 0.27 -0.81 -0.75 4.80 3.64 0.24 0.96 116.57 124.92 1ced h LYS 8 Ca 0.43 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 60.03 1ced h LYS 8 Cb 0.76 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.65 1ced h LYS 8 CO -0.53 -0.54 0.21 0.00 -2.27 0.00 0.00 179.45 176.32 1ced h ALA 9 N -0.45 1.01 0.62 5.00 0.00 0.31 0.24 119.26 125.99 1ced h ALA 9 Ca -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 9 Cb 0.66 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ced h ALA 9 CO 0.11 -0.33 -0.33 0.28 0.00 0.00 0.00 179.25 178.98 1ced h VAL 10 N 0.30 0.34 -0.22 0.00 2.07 -0.85 -2.83 116.25 115.05 1ced h VAL 10 Ca 0.43 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.98 1ced h VAL 10 Cb 0.74 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1ced h VAL 10 CO -0.50 0.00 -0.53 0.15 0.02 0.00 0.00 177.57 176.71 1ced h PHE 11 N -0.87 -1.58 -0.98 1.57 3.57 0.11 0.18 116.94 118.92 1ced h PHE 11 Ca -0.08 0.07 0.30 0.00 3.53 0.00 0.00 57.97 61.79 1ced h PHE 11 Cb 0.68 0.72 -0.15 0.00 2.79 0.00 0.00 35.95 40.00 1ced h PHE 11 CO -0.05 -0.51 0.52 -0.44 -2.23 0.00 0.00 178.31 175.60 1ced h ASP 12 N -0.50 0.45 0.08 0.41 5.19 -0.67 0.18 116.42 121.56 1ced h ASP 12 Ca 0.04 0.19 -0.20 0.00 -0.62 0.00 0.00 57.03 56.45 1ced h ASP 12 Cb 0.62 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1ced h ASP 12 CO -0.47 -0.12 -0.98 1.23 -3.12 0.00 0.00 179.24 175.78 1ced h GLY 13 N 0.33 0.19 0.00 2.75 0.00 -0.96 -3.41 103.07 101.97 1ced h GLY 13 Ca 0.70 -0.50 -0.31 0.00 0.00 0.00 0.00 47.33 47.22 1ced h GLY 13 CO -0.60 0.44 -2.17 0.70 0.00 0.00 0.00 176.54 174.90 1ced n ASN 14 N -4.18 2.10 -0.11 0.19 3.02 0.50 -4.64 115.26 112.14 1ced n ASN 14 Ca -0.21 -0.09 -0.19 0.00 -0.03 0.00 0.00 54.58 54.06 1ced n ASN 14 Cb 0.77 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.76 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 2.74 -0.99 0.00 0.00 -1.22 0.12 119.26 119.60 1ced h ALA 16 Ca -0.53 0.06 0.31 0.00 0.00 0.00 0.00 54.91 54.75 1ced h ALA 16 Cb 1.67 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 19.41 1ced h ALA 16 CO -0.18 -1.26 0.14 0.00 0.00 0.00 0.00 179.25 177.95 1ced n ALA 17 N -2.58 0.63 -0.05 0.00 0.00 -1.26 -0.04 120.51 117.21 1ced n ALA 17 Ca 0.33 1.05 -0.05 0.00 0.00 0.00 0.00 53.44 54.77 1ced n ALA 17 Cb 1.29 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.40 0.61 0.00 0.00 8.25 0.18 0.07 115.22 121.93 1ced n HIS 19 Ca -0.17 -0.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 1ced n HIS 19 Cb 0.84 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.74 0.00 -2.57 -1.41 0.00 0.94 0.64 120.51 117.36 1ced n ALA 20 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1ced n ALA 20 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 5.83 2.50 0.00 0.00 -1.26 -4.70 105.19 107.56 1ced n GLY 21 Ca 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.31 0.91 3.28 -0.02 0.00 0.21 -4.85 105.19 104.41 1ced n GLY 22 Ca 0.41 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.50 2.90 -0.32 -0.02 0.00 0.76 -0.83 107.32 107.31 1ced s GLY 23 Ca 0.00 -3.57 -0.36 0.00 0.00 0.00 0.00 44.72 40.79 1ced s GLY 23 CO 0.00 1.26 2.11 -2.01 0.00 0.00 0.00 173.10 174.46 1ced n ASN 24 N 3.25 2.29 0.16 1.64 2.85 -1.25 -3.87 115.26 120.32 1ced n ASN 24 Ca 0.18 0.54 0.08 0.00 -0.11 0.00 0.00 54.58 55.26 1ced n ASN 24 Cb 0.42 -1.26 0.08 0.00 1.24 0.00 0.00 39.78 40.26 1ced n ASN 24 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1ced h ASN 25 N 11.50 0.00 0.00 1.20 2.35 -0.69 -3.29 115.58 126.65 1ced h ASN 25 Ca -0.31 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1ced h ASN 25 Cb 1.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 1ced h ASN 25 CO 1.01 0.22 -0.47 0.58 -1.65 0.00 0.00 177.43 177.12 1ced h VAL 26 N 0.00 0.95 -3.52 2.81 2.07 -1.89 -3.42 116.25 113.25 1ced h VAL 26 Ca -0.01 -1.87 -0.67 0.00 0.82 0.00 0.00 66.70 64.97 1ced h VAL 26 Cb 1.18 1.95 -0.38 0.00 -1.52 0.00 0.00 31.29 32.52 1ced h VAL 26 CO 0.03 0.32 -0.58 -0.63 0.02 0.00 0.00 177.57 176.73 1ced s ILE 27 N -2.15 2.87 0.29 4.57 1.01 -1.26 -5.03 121.20 121.50 1ced s ILE 27 Ca -0.18 -2.76 -0.03 0.00 0.00 0.00 0.00 60.65 57.67 1ced s ILE 27 Cb 0.01 -2.98 0.43 0.00 0.01 0.00 0.00 42.46 39.92 1ced s ILE 27 CO 0.47 -0.74 1.57 -0.65 0.00 0.00 0.00 174.94 175.59 1ced h PRO 28 N 7.18 0.01 0.00 2.79 0.11 -1.81 0.02 132.00 140.29 1ced h PRO 28 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ced h PRO 28 Cb 0.97 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ced h PRO 28 CO 0.65 0.00 -0.38 -0.40 -0.21 0.00 0.00 178.00 177.67 1ced n ASP 29 N -5.55 0.63 -2.49 -2.05 5.75 -1.26 -4.36 116.55 107.21 1ced n ASP 29 Ca 0.19 0.23 -0.23 0.00 -0.01 0.00 0.00 54.79 54.97 1ced n ASP 29 Cb 0.62 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.46 1ced n ASP 29 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1ced n HIS 30 N -2.00 1.12 -1.55 2.11 -0.00 -0.01 -4.93 115.22 109.96 1ced n HIS 30 Ca 0.05 -1.99 -0.30 0.00 0.46 0.00 0.00 57.72 55.93 1ced n HIS 30 Cb 0.41 -1.66 0.08 0.00 -0.12 0.00 0.00 29.99 28.70 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 -0.18 3.29 0.00 3.57 -4.23 -1.26 -4.57 115.64 112.25 1ced s THR 31 Ca 0.63 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1ced s THR 31 Cb 0.31 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1ced s THR 31 CO -0.09 -0.55 1.39 0.18 -0.54 0.00 0.00 174.62 175.01 1ced n LEU 32 N -3.37 3.83 -4.86 4.79 4.77 -0.01 -4.31 117.00 117.85 1ced n LEU 32 Ca 0.07 -1.79 -0.32 0.00 -0.03 0.00 0.00 56.01 53.95 1ced n LEU 32 Cb 0.56 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1ced n LEU 32 CO 0.56 0.70 0.40 -1.10 -1.33 0.00 0.00 177.39 176.62 1ced s GLN 33 N 0.17 3.93 0.11 3.23 -1.52 -1.26 -4.41 119.66 119.91 1ced s GLN 33 Ca 0.00 0.58 -0.33 0.00 -1.95 0.00 0.00 55.36 53.66 1ced s GLN 33 Cb 0.00 -2.44 -0.12 0.00 -0.22 0.00 0.00 33.01 30.23 1ced s GLN 33 CO 0.00 0.13 1.57 -0.22 -0.25 0.00 0.00 175.29 176.52 1ced h LYS 34 N 2.04 -0.66 -0.81 2.91 3.64 -1.90 0.15 116.57 121.94 1ced h LYS 34 Ca -0.48 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.09 1ced h LYS 34 Cb 1.18 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 33.05 1ced h LYS 34 CO 0.65 -0.44 0.39 0.00 -2.27 0.00 0.00 179.45 177.78 1ced h ALA 35 N -0.30 1.20 -0.22 5.00 0.00 -1.94 0.13 119.26 123.12 1ced h ALA 35 Ca 0.02 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1ced h ALA 35 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ced h ALA 35 CO -0.29 -0.14 -0.51 0.00 0.00 0.00 0.00 179.25 178.31 1ced h ALA 36 N 1.55 0.36 0.32 0.00 0.00 -1.60 -0.39 119.26 119.51 1ced h ALA 36 Ca 0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ced h ALA 36 Cb 0.65 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ced h ALA 36 CO -0.38 0.55 -0.48 0.82 0.00 0.00 0.00 179.25 179.76 1ced h ILE 37 N 0.47 0.06 -0.20 0.00 2.04 -0.27 0.15 117.51 119.75 1ced h ILE 37 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ced h ILE 37 Cb 1.12 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1ced h ILE 37 CO 0.11 0.00 0.03 -0.33 0.00 0.00 0.00 178.15 177.96 1ced h GLU 38 N -0.86 0.28 0.24 2.37 5.08 -0.31 0.35 114.58 121.72 1ced h GLU 38 Ca -0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ced h GLU 38 Cb 0.79 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ced h GLU 38 CO -0.16 0.28 -0.11 1.96 -1.00 0.00 0.00 179.01 179.98 1ced h GLN 39 N 0.28 -0.30 0.12 2.33 1.08 -1.04 -3.43 115.11 114.15 1ced h GLN 39 Ca 0.07 0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.12 1ced h GLN 39 Cb 0.14 0.07 0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1ced h GLN 39 CO -0.00 -0.20 -0.75 0.74 -0.95 0.00 0.00 178.83 177.67 1ced h PHE 40 N -0.64 0.51 -1.45 2.96 0.04 -0.31 -3.42 116.94 114.63 1ced h PHE 40 Ca -0.03 -0.37 -0.39 0.00 2.80 0.00 0.00 57.97 59.98 1ced h PHE 40 Cb 0.24 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1ced h PHE 40 CO 0.04 1.28 1.25 -1.17 -0.60 0.00 0.00 178.31 179.11 1ced s LEU 41 N -7.94 3.28 0.00 1.54 2.96 0.12 -4.88 118.68 113.76 1ced s LEU 41 Ca -0.14 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1ced s LEU 41 Cb 0.01 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.18 1ced s LEU 41 CO 0.82 -2.91 0.00 -0.90 -1.32 0.00 0.00 176.35 172.05 1ced n ASP 42 N 15.44 0.00 0.00 3.68 5.68 -1.26 -0.37 116.55 139.71 1ced n ASP 42 Ca 0.34 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.76 1ced n ASP 42 Cb 0.52 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.24 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 -0.35 -0.92 0.39 6.12 0.00 -1.26 -5.02 105.19 104.15 1ced n GLY 43 Ca 0.00 -0.16 0.05 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 0.78 -1.59 3.17 -0.02 0.00 0.50 -4.39 105.19 103.63 1ced n GLY 44 Ca 0.19 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.11 2.32 -4.18 1.61 7.35 -1.26 -4.69 117.46 116.48 1ced n PHE 45 Ca -0.00 -1.91 -0.16 0.00 -0.76 0.00 0.00 57.45 54.62 1ced n PHE 45 Cb 0.18 -2.00 -0.14 0.00 0.35 0.00 0.00 39.48 37.87 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 5.05 0.83 0.09 -2.13 0.01 -1.26 -5.06 114.94 112.47 1ced s ASN 46 Ca 0.58 -0.25 -0.20 0.00 -0.71 0.00 0.00 52.86 52.28 1ced s ASN 46 Cb 0.11 -0.05 -0.09 0.00 0.41 0.00 0.00 41.25 41.63 1ced s ASN 46 CO 0.10 0.00 1.66 0.40 -1.51 0.00 0.00 177.10 177.75 1ced h ILE 47 N 4.83 1.13 -0.98 0.60 1.08 -1.95 -1.05 117.51 121.17 1ced h ILE 47 Ca -0.31 -0.39 0.09 0.00 -0.39 0.00 0.00 64.86 63.85 1ced h ILE 47 Cb 1.19 1.08 -0.12 0.00 -3.07 0.00 0.00 36.82 35.90 1ced h ILE 47 CO 0.47 0.13 -0.58 -0.33 -0.69 0.00 0.00 178.15 177.15 1ced h GLU 48 N 0.15 -0.01 -0.28 2.37 3.07 -1.97 0.17 114.58 118.08 1ced h GLU 48 Ca 0.06 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.98 1ced h GLU 48 Cb 0.13 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 1ced h GLU 48 CO -0.01 -0.01 -0.08 0.00 -1.40 0.00 0.00 179.01 177.51 1ced h ALA 49 N 0.47 0.17 0.48 3.43 0.00 -1.69 0.11 119.26 122.22 1ced h ALA 49 Ca 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ced h ALA 49 Cb 0.41 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ced h ALA 49 CO -0.92 -0.48 -0.45 0.82 0.00 0.00 0.00 179.25 178.22 1ced h ILE 50 N -0.02 0.00 -0.41 0.00 1.08 -0.19 -2.28 117.51 115.69 1ced h ILE 50 Ca 0.14 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.69 1ced h ILE 50 Cb 0.23 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.90 1ced h ILE 50 CO -0.30 0.00 -0.18 0.58 -0.69 0.00 0.00 178.15 177.56 1ced h VAL 51 N -0.92 0.44 -0.71 1.67 2.07 -0.43 -0.54 116.25 117.83 1ced h VAL 51 Ca -0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1ced h VAL 51 Cb 0.79 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 1ced h VAL 51 CO -0.04 0.00 0.07 0.22 0.02 0.00 0.00 177.57 177.84 1ced h TYR 52 N -0.10 0.08 0.24 1.57 3.20 -0.70 0.22 116.97 121.48 1ced h TYR 52 Ca 0.20 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1ced h TYR 52 Cb 0.41 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1ced h TYR 52 CO -0.43 -0.16 -0.11 0.37 -1.64 0.00 0.00 178.16 176.19 1ced h GLN 53 N 0.17 -0.31 -0.20 1.82 5.75 -0.52 -0.83 115.11 120.99 1ced h GLN 53 Ca 0.39 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.95 1ced h GLN 53 Cb 0.67 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.25 1ced h GLN 53 CO -0.57 -0.15 -0.05 0.82 -2.65 0.00 0.00 178.83 176.23 1ced h ILE 54 N -0.40 0.80 0.01 2.39 5.03 -0.51 0.51 117.51 125.35 1ced h ILE 54 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1ced h ILE 54 Cb 0.30 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 34.88 1ced h ILE 54 CO 0.05 0.00 -0.09 -0.33 -0.68 0.00 0.00 178.15 177.10 1ced h GLU 55 N -0.00 -0.12 0.00 2.37 5.08 -0.55 0.08 114.58 121.43 1ced h GLU 55 Ca 0.09 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1ced h GLU 55 Cb 0.15 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1ced h GLU 55 CO -0.20 -0.08 -1.31 -0.91 -1.00 0.00 0.00 179.01 175.51 1ced h ASN 56 N -0.13 0.00 -4.07 1.42 2.35 -0.90 0.51 115.58 114.77 1ced h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ced h ASN 56 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ced h ASN 56 CO -0.05 0.53 -0.44 0.61 -1.65 0.00 0.00 177.43 176.43 1ced n GLY 57 N 1.37 -3.90 3.25 2.83 0.00 0.15 -4.44 105.19 104.44 1ced n GLY 57 Ca -0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.26 0.41 6.80 1.61 2.36 -0.91 -4.85 119.74 120.90 1ced s LYS 58 Ca 0.00 0.60 0.00 0.00 -2.55 0.00 0.00 55.97 54.02 1ced s LYS 58 Cb 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.90 1ced s LYS 58 CO 0.00 -0.09 0.00 0.41 1.55 0.00 0.00 175.35 177.22 1ced n GLY 59 N 3.36 2.66 1.31 5.54 0.00 -1.26 -1.28 105.19 115.53 1ced n GLY 59 Ca -0.17 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 11.29 3.93 -2.96 4.61 0.00 -1.26 -4.96 120.51 131.16 1ced n ALA 60 Ca 0.00 -2.62 -0.34 0.00 0.00 0.00 0.00 53.44 50.48 1ced n ALA 60 Cb 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.03 3.71 0.69 0.00 0.00 -0.40 -5.09 119.30 115.18 1ced s MET 61 Ca 0.47 -0.50 -0.14 0.00 0.00 0.00 0.00 55.69 55.52 1ced s MET 61 Cb 0.39 -2.98 0.02 0.00 0.00 0.00 0.00 34.83 32.26 1ced s MET 61 CO 0.07 0.21 1.11 -1.25 0.00 0.00 0.00 175.02 175.16 1ced s PRO 62 N 0.46 2.61 0.16 4.11 0.04 -1.26 -2.15 135.00 138.97 1ced s PRO 62 Ca -0.02 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 1ced s PRO 62 Cb -0.14 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1ced s PRO 62 CO 0.02 -1.39 0.63 0.00 0.04 0.00 0.00 177.00 176.30 1ced s ALA 63 N -2.47 3.51 -0.68 8.56 0.00 -1.26 -4.31 121.76 125.11 1ced s ALA 63 Ca 0.66 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1ced s ALA 63 Cb -0.20 -2.68 0.13 0.00 0.00 0.00 0.00 23.12 20.36 1ced s ALA 63 CO 0.46 0.39 0.96 0.91 0.00 0.00 0.00 175.76 178.47 1ced n TRP 64 N 1.00 0.16 -1.71 0.00 7.02 0.05 -4.90 117.44 119.06 1ced n TRP 64 Ca -0.05 -0.28 -0.62 0.00 -1.02 0.00 0.00 57.50 55.52 1ced n TRP 64 Cb 0.51 -0.02 -0.09 0.00 -2.42 0.00 0.00 31.31 29.29 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 0.23 1.78 0.00 -0.99 5.75 -0.47 -0.91 116.55 121.94 1ced n ASP 65 Ca 0.06 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.93 1ced n ASP 65 Cb 0.27 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 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 4.29 0.54 0.13 6.12 0.00 -1.26 -4.73 105.19 110.29 1ced n GLY 66 Ca 0.30 0.00 -0.21 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 1.01 0.33 -6.13 1.61 3.08 -1.39 -3.45 114.38 109.44 1ced h ARG 67 Ca 0.00 -0.57 -0.62 0.00 0.07 0.00 0.00 59.98 58.87 1ced h ARG 67 Cb 0.00 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1ced h ARG 67 CO 0.00 1.23 -0.57 -0.51 -1.07 0.00 0.00 179.97 179.05 1ced s LEU 68 N -7.15 3.94 1.00 3.04 1.43 -1.05 -5.13 118.68 114.76 1ced s LEU 68 Ca -0.14 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1ced s LEU 68 Cb 0.06 -2.59 0.19 0.00 0.03 0.00 0.00 46.19 43.89 1ced s LEU 68 CO 0.85 0.14 1.09 -0.62 0.23 0.00 0.00 176.35 178.04 1ced s ASP 69 N -2.61 2.55 0.12 2.29 -1.08 -1.26 -4.77 116.67 111.91 1ced s ASP 69 Ca 0.31 1.28 -0.18 0.00 -0.52 0.00 0.00 52.55 53.43 1ced s ASP 69 Cb -0.12 -1.96 -0.05 0.00 -1.46 0.00 0.00 42.92 39.34 1ced s ASP 69 CO 0.24 -3.19 1.73 -0.33 0.52 0.00 0.00 175.17 174.13 1ced h GLU 70 N -1.93 0.38 -0.30 4.34 5.08 -1.99 0.11 114.58 120.26 1ced h GLU 70 Ca -0.54 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 1ced h GLU 70 Cb 1.32 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1ced h GLU 70 CO 0.56 0.33 0.00 0.22 -1.00 0.00 0.00 179.01 179.12 1ced h ASP 71 N 0.33 0.51 0.32 1.42 3.58 -1.98 -0.34 116.42 120.26 1ced h ASP 71 Ca 0.10 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 1ced h ASP 71 Cb 0.05 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1ced h ASP 71 CO -0.02 0.70 -0.51 -0.08 -2.88 0.00 0.00 179.24 176.45 1ced h GLU 72 N 0.32 -0.85 -0.68 0.28 4.81 -1.90 0.36 114.58 116.92 1ced h GLU 72 Ca 0.08 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1ced h GLU 72 Cb 0.43 0.19 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 1ced h GLU 72 CO 0.02 -0.56 -0.47 0.82 -0.73 0.00 0.00 179.01 178.08 1ced h ILE 73 N -0.88 0.05 -0.78 2.32 1.08 -0.74 0.10 117.51 118.66 1ced h ILE 73 Ca -0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1ced h ILE 73 Cb 0.81 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1ced h ILE 73 CO -0.17 0.00 0.51 0.00 -0.69 0.00 0.00 178.15 177.80 1ced h ALA 74 N 0.62 1.64 -0.13 1.87 0.00 -0.52 -0.84 119.26 121.90 1ced h ALA 74 Ca 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 74 Cb 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ced h ALA 74 CO -0.76 0.24 -0.16 0.78 0.00 0.00 0.00 179.25 179.35 1ced h GLY 75 N 0.84 0.37 0.98 0.00 0.00 0.15 -0.10 103.07 105.31 1ced h GLY 75 Ca 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1ced h GLY 75 CO -0.12 0.35 0.20 -0.24 0.00 0.00 0.00 176.54 176.74 1ced h VAL 76 N -0.06 1.22 0.31 4.60 3.04 -0.54 0.17 116.25 124.99 1ced h VAL 76 Ca 0.02 -0.70 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1ced h VAL 76 Cb 0.70 0.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.65 1ced h VAL 76 CO 0.04 0.26 -0.30 0.00 -1.01 0.00 0.00 177.57 176.56 1ced h ALA 77 N 1.05 -0.64 -0.55 3.17 0.00 -1.10 -0.58 119.26 120.61 1ced h ALA 77 Ca 0.17 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1ced h ALA 77 Cb 0.21 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1ced h ALA 77 CO -0.01 -0.90 0.07 0.00 0.00 0.00 0.00 179.25 178.41 1ced h ALA 78 N -0.08 0.60 0.25 0.00 0.00 -0.70 0.40 119.26 119.72 1ced h ALA 78 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ced h ALA 78 Cb 0.58 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ced h ALA 78 CO -0.06 -0.34 -0.23 -0.92 0.00 0.00 0.00 179.25 177.70 1ced h TYR 79 N 0.20 -0.61 -0.56 0.00 3.20 -0.49 0.15 116.97 118.86 1ced h TYR 79 Ca 0.28 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.25 1ced h TYR 79 Cb 0.42 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 1ced h TYR 79 CO -0.27 -0.34 0.15 0.28 -1.64 0.00 0.00 178.16 176.33 1ced h VAL 80 N -0.51 0.72 -0.23 1.81 2.07 -0.66 0.12 116.25 119.57 1ced h VAL 80 Ca -0.01 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ced h VAL 80 Cb 0.46 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1ced h VAL 80 CO -0.04 0.05 0.05 0.22 0.02 0.00 0.00 177.57 177.88 1ced h TYR 81 N 0.30 0.09 -0.26 1.57 3.20 -0.47 0.02 116.97 121.42 1ced h TYR 81 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.18 1ced h TYR 81 Cb 0.38 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1ced h TYR 81 CO -0.21 0.03 0.15 0.22 -1.64 0.00 0.00 178.16 176.71 1ced h ASP 82 N 0.14 0.24 0.05 -2.11 3.58 0.06 0.13 116.42 118.52 1ced h ASP 82 Ca 0.10 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1ced h ASP 82 Cb 0.10 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1ced h ASP 82 CO -0.13 0.18 -0.12 1.56 -2.88 0.00 0.00 179.24 177.84 1ced h GLN 83 N 0.31 -0.22 0.71 0.28 1.08 -0.56 0.13 115.11 116.83 1ced h GLN 83 Ca 0.10 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 1ced h GLN 83 Cb 0.00 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1ced h GLN 83 CO -0.05 -0.15 -0.48 0.00 -0.95 0.00 0.00 178.83 177.19 1ced h ALA 84 N 0.68 -1.24 -0.46 3.87 0.00 -0.77 0.12 119.26 121.46 1ced h ALA 84 Ca 0.03 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1ced h ALA 84 Cb 0.26 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1ced h ALA 84 CO -0.08 -1.21 -0.05 0.00 0.00 0.00 0.00 179.25 177.91 1ced h ALA 85 N -1.14 0.38 0.00 0.00 0.00 -0.71 -1.15 119.26 116.65 1ced h ALA 85 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 85 Cb 0.92 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ced h ALA 85 CO 0.07 -0.41 0.00 0.78 0.00 0.00 0.00 179.25 179.68 1ced h GLY 86 N 0.06 0.00 -6.20 0.00 0.00 -0.67 -3.48 103.07 92.78 1ced h GLY 86 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.22 1ced h GLY 86 CO -0.42 0.00 -0.74 -2.01 0.00 0.00 0.00 176.54 173.38 1ced n ASN 87 N -2.56 -5.82 -1.24 0.19 5.15 -0.06 -4.94 115.26 105.99 1ced n ASN 87 Ca 0.02 -0.74 0.08 0.00 -0.60 0.00 0.00 54.58 53.34 1ced n ASN 87 Cb 0.31 -3.23 0.30 0.00 -0.53 0.00 0.00 39.78 36.63 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 -2.96 3.51 0.00 1.20 4.01 0.22 -5.03 118.16 119.11 1ced n LYS 88 Ca -0.15 -2.77 0.14 0.00 -0.51 0.00 0.00 58.31 55.02 1ced n LYS 88 Cb 0.60 -1.82 0.53 0.00 -0.51 0.00 0.00 35.03 33.83 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20