#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 -2.60 0.62 0.00 -1.26 -4.06 120.51 113.20 1ced n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ced n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -4.00 6.65 0.36 0.00 2.15 -1.26 -4.91 116.67 115.66 1ced s ASP 3 Ca 0.00 0.57 0.16 0.00 0.43 0.00 0.00 52.55 53.71 1ced s ASP 3 Cb 0.00 -2.43 0.66 0.00 -0.30 0.00 0.00 42.92 40.86 1ced s ASP 3 CO 0.00 -0.73 1.75 -0.07 -0.17 0.00 0.00 175.17 175.96 1ced h LEU 4 N 9.73 0.00 0.14 -1.34 3.38 -1.89 -2.41 115.31 122.92 1ced h LEU 4 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ced h LEU 4 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ced h LEU 4 CO 0.93 0.42 -0.06 0.00 0.09 0.00 0.00 178.44 179.81 1ced h ALA 5 N 1.58 -0.18 0.01 1.53 0.00 -1.96 0.21 119.26 120.45 1ced h ALA 5 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ced h ALA 5 Cb 0.84 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1ced h ALA 5 CO 0.05 -0.33 -0.44 1.25 0.00 0.00 0.00 179.25 179.79 1ced h LEU 6 N -0.72 -1.32 -0.74 0.00 5.85 -1.96 0.13 115.31 116.54 1ced h LEU 6 Ca -0.02 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1ced h LEU 6 Cb 0.52 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1ced h LEU 6 CO 0.03 -0.47 0.38 1.23 -0.34 0.00 0.00 178.44 179.27 1ced h GLY 7 N -0.60 1.12 0.79 3.75 0.00 -1.44 -0.14 103.07 106.55 1ced h GLY 7 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1ced h GLY 7 CO -0.31 0.08 -0.28 1.70 0.00 0.00 0.00 176.54 177.72 1ced h LYS 8 N 0.65 -0.62 -0.71 4.80 3.64 -0.18 0.70 116.57 124.85 1ced h LYS 8 Ca 0.36 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.93 1ced h LYS 8 Cb 0.37 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 1ced h LYS 8 CO -0.26 -0.41 0.19 0.00 -2.27 0.00 0.00 179.45 176.70 1ced h ALA 9 N -0.08 0.91 0.37 5.00 0.00 0.36 0.25 119.26 126.07 1ced h ALA 9 Ca -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 9 Cb 0.55 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ced h ALA 9 CO -0.00 -0.30 -0.19 0.28 0.00 0.00 0.00 179.25 179.03 1ced h VAL 10 N 0.30 0.60 -0.08 0.00 2.07 -0.91 -2.84 116.25 115.39 1ced h VAL 10 Ca 0.39 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.94 1ced h VAL 10 Cb 0.63 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1ced h VAL 10 CO -0.46 0.00 -0.48 0.15 0.02 0.00 0.00 177.57 176.80 1ced h PHE 11 N -0.52 -1.40 -0.93 1.57 3.57 0.10 0.13 116.94 119.46 1ced h PHE 11 Ca -0.05 0.05 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1ced h PHE 11 Cb 0.41 0.62 -0.15 0.00 2.79 0.00 0.00 35.95 39.63 1ced h PHE 11 CO -0.06 -0.52 0.35 -0.44 -2.23 0.00 0.00 178.31 175.41 1ced h ASP 12 N -0.58 0.18 0.05 0.41 5.19 -0.64 0.20 116.42 121.23 1ced h ASP 12 Ca 0.05 0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.56 1ced h ASP 12 Cb 0.67 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1ced h ASP 12 CO -0.39 -0.15 -0.47 1.23 -3.12 0.00 0.00 179.24 176.34 1ced h GLY 13 N 0.25 0.12 0.00 2.75 0.00 -1.05 -3.40 103.07 101.74 1ced h GLY 13 Ca 0.62 -0.30 -0.38 0.00 0.00 0.00 0.00 47.33 47.28 1ced h GLY 13 CO -0.64 0.26 -2.43 0.70 0.00 0.00 0.00 176.54 174.43 1ced n ASN 14 N -4.40 0.88 -0.06 0.19 3.02 0.37 -4.70 115.26 110.55 1ced n ASN 14 Ca -0.15 -0.06 -0.11 0.00 -0.03 0.00 0.00 54.58 54.23 1ced n ASN 14 Cb 0.63 0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 40.11 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 -0.20 2.82 -1.00 0.00 0.00 -1.26 0.13 119.26 119.75 1ced h ALA 16 Ca -0.30 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.83 1ced h ALA 16 Cb 1.37 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 19.04 1ced h ALA 16 CO -0.11 -1.12 -0.11 0.00 0.00 0.00 0.00 179.25 177.90 1ced n ALA 17 N -2.69 0.38 -0.07 0.00 0.00 -1.26 -0.06 120.51 116.81 1ced n ALA 17 Ca 0.22 1.08 -0.06 0.00 0.00 0.00 0.00 53.44 54.68 1ced n ALA 17 Cb 1.03 -0.72 -0.13 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 -2.54 0.26 -0.93 0.00 8.25 -0.02 -0.34 115.22 119.90 1ced n HIS 19 Ca -0.24 -1.53 -0.36 0.00 -0.26 0.00 0.00 57.72 55.33 1ced n HIS 19 Cb 0.96 -0.31 -0.05 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 -1.12 -1.17 -0.62 -1.41 0.00 0.92 -1.30 120.51 115.81 1ced n ALA 20 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ced n ALA 20 Cb 0.77 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 1.84 1.10 1.81 0.00 0.00 -1.26 -0.59 105.19 108.09 1ced n GLY 21 Ca 0.16 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 1.74 3.25 -0.02 0.00 -0.81 -4.98 105.19 104.36 1ced n GLY 22 Ca 0.00 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.64 2.59 -0.51 -0.02 0.00 0.25 -0.95 107.32 106.03 1ced s GLY 23 Ca 0.33 -3.27 -0.31 0.00 0.00 0.00 0.00 44.72 41.47 1ced s GLY 23 CO -0.12 1.20 2.37 -2.01 0.00 0.00 0.00 173.10 174.54 1ced n ASN 24 N 3.85 1.94 -0.59 1.64 2.85 -1.25 -3.68 115.26 120.04 1ced n ASN 24 Ca 0.11 0.03 0.10 0.00 -0.11 0.00 0.00 54.58 54.70 1ced n ASN 24 Cb 0.44 -1.34 0.35 0.00 1.24 0.00 0.00 39.78 40.47 1ced n ASN 24 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1ced n ASN 25 N 12.28 1.75 -0.05 1.20 0.23 0.53 -3.82 115.26 127.39 1ced n ASN 25 Ca 0.44 -1.75 -0.06 0.00 -0.53 0.00 0.00 54.58 52.68 1ced n ASN 25 Cb 0.32 -0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 37.88 1ced n ASN 25 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1ced n VAL 26 N 0.39 1.23 -3.58 3.53 0.31 -1.26 -4.82 118.33 114.12 1ced n VAL 26 Ca 0.16 0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 64.32 1ced n VAL 26 Cb 0.34 -2.05 -0.08 0.00 -0.91 0.00 0.00 33.84 31.14 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 -2.44 4.21 0.28 2.52 1.01 -1.26 -5.02 121.20 120.50 1ced s ILE 27 Ca -0.19 -2.27 -0.06 0.00 0.00 0.00 0.00 60.65 58.13 1ced s ILE 27 Cb 0.03 -3.74 0.43 0.00 0.01 0.00 0.00 42.46 39.18 1ced s ILE 27 CO 0.28 -0.84 1.57 -0.65 0.00 0.00 0.00 174.94 175.30 1ced h PRO 28 N 7.88 0.00 0.00 2.79 0.11 -1.88 -1.48 132.00 139.43 1ced h PRO 28 Ca -0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1ced h PRO 28 Cb 1.03 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ced h PRO 28 CO 0.79 0.00 -0.61 -0.40 -0.21 0.00 0.00 178.00 177.56 1ced n ASP 29 N -5.57 0.66 -2.61 -2.05 5.75 -1.26 -4.33 116.55 107.14 1ced n ASP 29 Ca 0.17 0.08 -0.23 0.00 -0.01 0.00 0.00 54.79 54.80 1ced n ASP 29 Cb 0.55 0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.72 1ced n ASP 29 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1ced n HIS 30 N -2.03 1.03 -1.72 2.11 8.25 -0.56 -4.90 115.22 117.40 1ced n HIS 30 Ca 0.04 -2.09 -0.30 0.00 -0.26 0.00 0.00 57.72 55.11 1ced n HIS 30 Cb 0.43 -1.90 0.18 0.00 1.12 0.00 0.00 29.99 29.81 1ced n HIS 30 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ced s THR 31 N 1.71 1.92 -0.97 1.59 -4.23 -1.26 -4.56 115.64 109.84 1ced s THR 31 Ca 0.63 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.25 1ced s THR 31 Cb 0.24 -2.87 0.47 0.00 1.34 0.00 0.00 72.50 71.68 1ced s THR 31 CO -0.03 0.00 1.29 0.18 -0.54 0.00 0.00 174.62 175.52 1ced n LEU 32 N -3.91 3.47 -4.77 4.79 4.77 -0.12 -4.23 117.00 117.00 1ced n LEU 32 Ca 0.13 -1.76 -0.37 0.00 -0.03 0.00 0.00 56.01 53.99 1ced n LEU 32 Cb 0.60 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ced n LEU 32 CO 0.48 0.52 0.86 -1.10 -1.33 0.00 0.00 177.39 176.82 1ced s GLN 33 N -1.88 3.55 0.16 3.23 1.11 -1.26 -4.64 119.66 119.93 1ced s GLN 33 Ca 0.32 1.87 -0.29 0.00 0.01 0.00 0.00 55.36 57.27 1ced s GLN 33 Cb 0.23 -2.32 -0.03 0.00 -1.01 0.00 0.00 33.01 29.87 1ced s GLN 33 CO 0.13 -0.75 1.55 -0.22 0.01 0.00 0.00 175.29 176.01 1ced h LYS 34 N 1.80 -0.21 -0.68 2.91 3.64 -1.92 0.12 116.57 122.23 1ced h LYS 34 Ca -0.50 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1ced h LYS 34 Cb 1.26 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1ced h LYS 34 CO 0.59 -0.14 0.46 0.00 -2.27 0.00 0.00 179.45 178.09 1ced h ALA 35 N 0.40 2.13 -0.04 5.00 0.00 -1.93 0.13 119.26 124.96 1ced h ALA 35 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 35 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ced h ALA 35 CO -0.74 -0.31 -0.19 0.00 0.00 0.00 0.00 179.25 178.01 1ced h ALA 36 N 1.67 0.08 0.05 0.00 0.00 -1.15 -2.36 119.26 117.55 1ced h ALA 36 Ca 0.32 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ced h ALA 36 Cb 0.77 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1ced h ALA 36 CO -0.09 0.04 -0.34 0.82 0.00 0.00 0.00 179.25 179.68 1ced h ILE 37 N -0.36 0.27 -0.24 0.00 2.04 -0.41 0.64 117.51 119.45 1ced h ILE 37 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1ced h ILE 37 Cb 0.84 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1ced h ILE 37 CO 0.04 0.00 -0.03 -0.33 0.00 0.00 0.00 178.15 177.82 1ced h GLU 38 N -0.53 0.37 0.46 2.37 5.08 -0.72 0.32 114.58 121.93 1ced h GLU 38 Ca 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ced h GLU 38 Cb 0.59 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ced h GLU 38 CO -0.25 0.43 -0.22 1.96 -1.00 0.00 0.00 179.01 179.93 1ced h GLN 39 N 0.36 -0.60 0.14 2.33 4.20 -1.30 -3.43 115.11 116.81 1ced h GLN 39 Ca 0.08 0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.51 1ced h GLN 39 Cb 0.30 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ced h GLN 39 CO 0.01 -0.40 -1.67 0.74 -0.67 0.00 0.00 178.83 176.85 1ced h PHE 40 N -1.00 0.53 -2.37 2.96 0.04 -0.37 -3.45 116.94 113.28 1ced h PHE 40 Ca -0.06 -0.39 -0.57 0.00 2.80 0.00 0.00 57.97 59.75 1ced h PHE 40 Cb 0.48 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1ced h PHE 40 CO 0.02 1.65 1.31 -1.17 -0.60 0.00 0.00 178.31 179.52 1ced s LEU 41 N -7.36 3.80 0.29 1.54 2.96 0.11 -4.88 118.68 115.14 1ced s LEU 41 Ca -0.20 1.93 -0.03 0.00 -0.22 0.00 0.00 54.13 55.61 1ced s LEU 41 Cb 0.05 -3.52 0.60 0.00 0.50 0.00 0.00 46.19 43.82 1ced s LEU 41 CO 0.79 -1.54 1.57 -2.24 -1.32 0.00 0.00 176.35 173.62 1ced h ASP 42 N 12.62 -0.64 0.97 3.68 2.03 -1.87 -0.14 116.42 133.06 1ced h ASP 42 Ca -0.40 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1ced h ASP 42 Cb 1.21 0.52 0.00 0.00 -0.83 0.00 0.00 39.33 40.23 1ced h ASP 42 CO 0.98 -0.33 0.00 0.61 -1.03 0.00 0.00 179.24 179.47 1ced n GLY 43 N -1.54 -1.41 0.61 7.15 0.00 -1.26 -5.04 105.19 103.70 1ced n GLY 43 Ca 0.19 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 0.44 -1.78 3.11 -0.02 0.00 -0.07 -4.42 105.19 102.45 1ced n GLY 44 Ca 0.03 -1.36 -0.41 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 -2.67 2.47 -4.19 1.61 7.35 -1.26 -4.65 117.46 116.13 1ced n PHE 45 Ca -0.00 -2.06 -0.17 0.00 -0.76 0.00 0.00 57.45 54.46 1ced n PHE 45 Cb 0.28 -2.05 -0.12 0.00 0.35 0.00 0.00 39.48 37.94 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 4.78 1.41 0.03 -2.13 0.01 -1.26 -5.05 114.94 112.73 1ced s ASN 46 Ca 0.57 -0.54 -0.25 0.00 -0.71 0.00 0.00 52.86 51.93 1ced s ASN 46 Cb 0.12 -0.04 -0.17 0.00 0.41 0.00 0.00 41.25 41.56 1ced s ASN 46 CO 0.08 -0.08 1.47 0.40 -1.51 0.00 0.00 177.10 177.46 1ced h ILE 47 N 4.43 0.98 -0.93 0.60 1.08 -1.96 -0.80 117.51 120.92 1ced h ILE 47 Ca -0.38 -0.49 0.09 0.00 -0.39 0.00 0.00 64.86 63.70 1ced h ILE 47 Cb 1.19 1.29 -0.12 0.00 -3.07 0.00 0.00 36.82 36.11 1ced h ILE 47 CO 0.42 0.12 -0.51 -0.62 -0.69 0.00 0.00 178.15 176.86 1ced n GLU 48 N -5.06 -0.37 -0.04 2.37 4.71 -1.26 -0.47 120.64 120.52 1ced n GLU 48 Ca -0.09 1.40 -0.08 0.00 -0.01 0.00 0.00 57.16 58.39 1ced n GLU 48 Cb 0.18 -2.07 -0.02 0.00 -1.01 0.00 0.00 31.44 28.53 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 0.62 -0.02 0.25 0.62 0.00 -1.75 0.14 119.26 119.12 1ced h ALA 49 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ced h ALA 49 Cb 0.41 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ced h ALA 49 CO -0.88 -0.59 -0.33 0.82 0.00 0.00 0.00 179.25 178.27 1ced h ILE 50 N -0.17 0.31 -0.28 0.00 1.08 0.31 -1.31 117.51 117.45 1ced h ILE 50 Ca 0.12 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.66 1ced h ILE 50 Cb 0.35 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.34 1ced h ILE 50 CO -0.31 0.00 -0.14 0.58 -0.69 0.00 0.00 178.15 177.59 1ced h VAL 51 N -0.64 0.57 -0.73 1.67 2.07 -0.34 -0.55 116.25 118.29 1ced h VAL 51 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1ced h VAL 51 Cb 0.61 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 1ced h VAL 51 CO -0.12 0.00 -0.03 0.22 0.02 0.00 0.00 177.57 177.66 1ced h TYR 52 N -0.10 -0.12 0.37 1.57 3.20 -0.55 0.24 116.97 121.57 1ced h TYR 52 Ca 0.15 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1ced h TYR 52 Cb 0.32 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1ced h TYR 52 CO -0.33 -0.25 -0.30 0.37 -1.64 0.00 0.00 178.16 176.01 1ced h GLN 53 N 0.08 -0.65 -0.17 1.82 5.75 0.07 -0.49 115.11 121.53 1ced h GLN 53 Ca 0.39 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.94 1ced h GLN 53 Cb 0.66 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1ced h GLN 53 CO -0.67 -0.43 0.08 0.82 -2.65 0.00 0.00 178.83 175.98 1ced h ILE 54 N -0.67 0.99 0.03 2.39 5.03 -0.46 0.07 117.51 124.89 1ced h ILE 54 Ca -0.03 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1ced h ILE 54 Cb 0.59 0.81 -0.01 0.00 -3.03 0.00 0.00 36.82 35.17 1ced h ILE 54 CO -0.01 0.03 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.02 1ced h GLU 55 N 0.17 -0.19 0.00 2.37 5.08 -0.52 0.16 114.58 121.66 1ced h GLU 55 Ca 0.07 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ced h GLU 55 Cb 0.02 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ced h GLU 55 CO -0.05 -0.13 -1.21 0.09 -1.00 0.00 0.00 179.01 176.71 1ced n ASN 56 N -3.25 0.70 -0.09 1.42 3.02 -0.20 -1.15 115.26 115.70 1ced n ASN 56 Ca -0.02 0.27 0.01 0.00 -0.03 0.00 0.00 54.58 54.81 1ced n ASN 56 Cb 0.11 0.71 -0.00 0.00 -0.61 0.00 0.00 39.78 39.99 1ced n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ced n GLY 57 N 1.21 -2.71 0.00 7.41 0.00 -0.01 -4.49 105.19 106.61 1ced n GLY 57 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.04 0.00 -1.68 1.61 3.00 -0.28 -4.89 118.16 113.89 1ced n LYS 58 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.31 57.78 1ced n LYS 58 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.01 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 1.13 3.74 3.14 0.00 -1.26 -0.96 105.19 110.98 1ced n GLY 59 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 46.02 46.61 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 6.44 -0.96 -3.89 4.61 0.00 -1.26 -4.93 120.51 120.53 1ced n ALA 60 Ca 0.26 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 1ced n ALA 60 Cb 0.22 -1.84 -0.16 0.00 0.00 0.00 0.00 19.45 17.67 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 -5.80 1.41 0.55 0.00 0.00 -0.14 -5.01 119.30 110.31 1ced s MET 61 Ca 0.60 -0.53 -0.21 0.00 0.00 0.00 0.00 55.69 55.55 1ced s MET 61 Cb -0.35 -2.03 -0.05 0.00 0.00 0.00 0.00 34.83 32.41 1ced s MET 61 CO 0.73 -0.45 1.26 -1.25 0.00 0.00 0.00 175.02 175.32 1ced s PRO 62 N 1.63 3.18 0.29 4.11 0.04 -1.26 -1.12 135.00 141.87 1ced s PRO 62 Ca 0.00 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1ced s PRO 62 Cb -0.15 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1ced s PRO 62 CO -0.08 -1.08 1.01 0.00 0.04 0.00 0.00 177.00 176.90 1ced s ALA 63 N -1.46 3.30 -0.88 8.56 0.00 -1.26 -4.42 121.76 125.59 1ced s ALA 63 Ca 0.73 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.49 1ced s ALA 63 Cb -0.34 -3.25 0.22 0.00 0.00 0.00 0.00 23.12 19.75 1ced s ALA 63 CO 0.39 0.01 1.13 0.91 0.00 0.00 0.00 175.76 178.20 1ced n TRP 64 N 0.97 0.31 -1.71 0.00 7.02 0.05 -4.91 117.44 119.18 1ced n TRP 64 Ca 0.00 -0.39 -0.58 0.00 -1.02 0.00 0.00 57.50 55.51 1ced n TRP 64 Cb 0.47 -0.02 -0.07 0.00 -2.42 0.00 0.00 31.31 29.26 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 0.41 2.25 0.00 -0.99 5.75 -0.91 -0.94 116.55 122.12 1ced n ASP 65 Ca 0.09 1.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.96 1ced n ASP 65 Cb 0.37 -1.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 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 4.08 0.20 0.13 6.12 0.00 -1.26 -4.74 105.19 109.71 1ced n GLY 66 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.11 0.71 -3.98 1.61 1.74 -0.12 -4.87 116.66 110.63 1ced n ARG 67 Ca 0.00 0.21 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 1ced n ARG 67 Cb 0.17 -1.65 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 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 -6.64 4.12 1.00 0.55 1.43 -1.05 -5.13 118.68 112.96 1ced s LEU 68 Ca -0.23 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1ced s LEU 68 Cb 0.07 -2.74 0.19 0.00 0.03 0.00 0.00 46.19 43.75 1ced s LEU 68 CO 0.73 0.14 1.09 -0.62 0.23 0.00 0.00 176.35 177.92 1ced s ASP 69 N -2.67 2.57 0.10 2.29 -1.08 -1.26 -4.77 116.67 111.85 1ced s ASP 69 Ca 0.33 1.23 -0.20 0.00 -0.52 0.00 0.00 52.55 53.39 1ced s ASP 69 Cb -0.12 -1.91 -0.08 0.00 -1.46 0.00 0.00 42.92 39.36 1ced s ASP 69 CO 0.26 -3.17 1.68 -0.33 0.52 0.00 0.00 175.17 174.13 1ced h GLU 70 N -1.92 0.30 -0.06 4.34 5.08 -1.99 0.12 114.58 120.44 1ced h GLU 70 Ca -0.55 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1ced h GLU 70 Cb 1.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ced h GLU 70 CO 0.57 0.30 0.02 0.22 -1.00 0.00 0.00 179.01 179.13 1ced h ASP 71 N 0.21 0.09 0.04 1.42 3.58 -1.98 -0.23 116.42 119.55 1ced h ASP 71 Ca 0.07 -0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.38 1ced h ASP 71 Cb 0.10 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1ced h ASP 71 CO -0.01 0.22 -0.48 -0.08 -2.88 0.00 0.00 179.24 176.01 1ced h GLU 72 N -0.06 -0.62 -0.61 0.28 4.81 -1.91 0.30 114.58 116.77 1ced h GLU 72 Ca 0.02 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1ced h GLU 72 Cb 0.17 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 29.58 1ced h GLU 72 CO -0.00 -0.41 -0.47 0.82 -0.73 0.00 0.00 179.01 178.22 1ced h ILE 73 N -0.64 0.06 -0.97 2.32 1.08 -0.71 0.82 117.51 119.47 1ced h ILE 73 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.56 1ced h ILE 73 Cb 0.67 0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 34.41 1ced h ILE 73 CO -0.30 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 177.78 1ced h ALA 74 N 0.53 1.49 -0.09 1.87 0.00 -0.38 -0.39 119.26 122.29 1ced h ALA 74 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 74 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ced h ALA 74 CO -0.71 0.34 -0.16 0.78 0.00 0.00 0.00 179.25 179.49 1ced h GLY 75 N 1.06 0.30 0.99 0.00 0.00 0.97 -0.12 103.07 106.27 1ced h GLY 75 Ca 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1ced h GLY 75 CO -0.19 0.31 0.32 -0.24 0.00 0.00 0.00 176.54 176.74 1ced h VAL 76 N -0.17 1.19 0.80 4.60 3.04 -0.62 0.28 116.25 125.38 1ced h VAL 76 Ca 0.01 -0.50 -0.04 0.00 -1.01 0.00 0.00 66.70 65.16 1ced h VAL 76 Cb 0.73 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1ced h VAL 76 CO 0.04 0.21 -0.46 0.00 -1.01 0.00 0.00 177.57 176.35 1ced h ALA 77 N 1.15 -1.21 -0.53 3.17 0.00 -1.00 -1.19 119.26 119.65 1ced h ALA 77 Ca 0.21 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ced h ALA 77 Cb 0.05 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ced h ALA 77 CO -0.03 -1.19 0.35 0.00 0.00 0.00 0.00 179.25 178.38 1ced h ALA 78 N -1.06 1.80 0.92 0.00 0.00 -0.86 0.83 119.26 120.89 1ced h ALA 78 Ca -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ced h ALA 78 Cb 0.93 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ced h ALA 78 CO 0.13 0.13 -0.47 -0.92 0.00 0.00 0.00 179.25 178.12 1ced h TYR 79 N 0.55 -1.23 -0.76 0.00 3.20 -0.32 0.71 116.97 119.12 1ced h TYR 79 Ca 0.22 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.22 1ced h TYR 79 Cb 0.18 0.42 -0.10 0.00 1.54 0.00 0.00 36.73 38.76 1ced h TYR 79 CO -0.00 -0.75 0.27 0.28 -1.64 0.00 0.00 178.16 176.32 1ced h VAL 80 N -1.27 0.60 0.05 1.81 2.07 -0.71 0.48 116.25 119.27 1ced h VAL 80 Ca -0.13 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ced h VAL 80 Cb 0.99 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ced h VAL 80 CO 0.19 0.07 -0.10 0.22 0.02 0.00 0.00 177.57 177.97 1ced h TYR 81 N 0.38 -0.24 0.32 1.57 3.20 -0.58 0.14 116.97 121.75 1ced h TYR 81 Ca 0.42 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.28 1ced h TYR 81 Cb 0.69 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1ced h TYR 81 CO -0.19 -0.15 -0.15 0.22 -1.64 0.00 0.00 178.16 176.25 1ced h ASP 82 N -0.19 -0.36 -0.31 -2.11 1.82 -0.03 0.24 116.42 115.49 1ced h ASP 82 Ca 0.02 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.71 1ced h ASP 82 Cb 0.21 0.09 -0.08 0.00 0.68 0.00 0.00 39.33 40.23 1ced h ASP 82 CO -0.06 -0.21 -0.30 -0.61 -1.61 0.00 0.00 179.24 176.44 1ced h GLN 83 N -0.47 -0.27 0.01 0.28 5.75 -0.90 -0.56 115.11 118.95 1ced h GLN 83 Ca -0.04 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1ced h GLN 83 Cb 0.36 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1ced h GLN 83 CO 0.07 -0.18 -0.01 0.00 -2.65 0.00 0.00 178.83 176.06 1ced h ALA 84 N 0.70 -0.02 -0.51 3.38 0.00 -0.59 0.91 119.26 123.14 1ced h ALA 84 Ca 0.15 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 84 Cb 0.52 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1ced h ALA 84 CO -0.46 -0.32 0.01 0.00 0.00 0.00 0.00 179.25 178.48 1ced h ALA 85 N 0.57 0.50 0.00 0.00 0.00 -0.38 0.11 119.26 120.05 1ced h ALA 85 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ced h ALA 85 Cb 0.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ced h ALA 85 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1ced n GLY 86 N -1.32 -1.07 2.96 0.00 0.00 -0.23 -4.92 105.19 100.61 1ced n GLY 86 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.27 -1.19 0.00 1.61 5.15 0.37 -4.86 115.26 115.07 1ced n ASN 87 Ca 0.12 -0.26 0.14 0.00 -0.60 0.00 0.00 54.58 53.98 1ced n ASN 87 Cb 0.19 -0.40 0.69 0.00 -0.53 0.00 0.00 39.78 39.73 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 -1.16 0.24 0.00 1.20 4.01 0.28 -5.02 118.16 117.70 1ced n LYS 88 Ca -0.08 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.73 1ced n LYS 88 Cb 0.17 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.23 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20