#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 -1.57 -1.66 0.62 0.00 -1.26 -4.95 120.51 111.70 1ced n ALA 2 Ca 0.00 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1ced n ALA 2 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 19.45 15.55 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 -3.71 5.59 0.12 0.00 2.15 -1.26 -4.44 116.67 115.12 1ced s ASP 3 Ca 0.40 1.99 -0.07 0.00 0.43 0.00 0.00 52.55 55.30 1ced s ASP 3 Cb -0.19 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 39.76 1ced s ASP 3 CO 0.78 -1.30 1.29 -0.07 -0.17 0.00 0.00 175.17 175.70 1ced h LEU 4 N 0.63 0.65 -0.13 -1.34 3.38 -1.93 0.52 115.31 117.09 1ced h LEU 4 Ca -0.48 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 56.88 1ced h LEU 4 Cb 1.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ced h LEU 4 CO 0.56 1.30 -0.31 0.00 0.09 0.00 0.00 178.44 180.08 1ced h ALA 5 N 0.66 0.22 -0.10 1.53 0.00 -1.93 0.28 119.26 119.91 1ced h ALA 5 Ca -0.09 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1ced h ALA 5 Cb 1.57 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1ced h ALA 5 CO 0.17 0.25 -0.45 1.25 0.00 0.00 0.00 179.25 180.47 1ced h LEU 6 N 0.05 -1.41 -0.71 0.00 5.85 -1.95 0.11 115.31 117.24 1ced h LEU 6 Ca -0.00 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.05 1ced h LEU 6 Cb 0.91 0.56 -0.11 0.00 0.37 0.00 0.00 40.66 42.40 1ced h LEU 6 CO 0.07 -0.45 0.13 1.23 -0.34 0.00 0.00 178.44 179.08 1ced h GLY 7 N -0.54 0.94 0.96 3.75 0.00 -0.75 -0.07 103.07 107.37 1ced h GLY 7 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1ced h GLY 7 CO -0.39 -0.21 -0.27 1.70 0.00 0.00 0.00 176.54 177.37 1ced h LYS 8 N 0.23 -0.70 -0.73 4.80 3.64 0.16 0.10 116.57 124.07 1ced h LYS 8 Ca 0.40 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.98 1ced h LYS 8 Cb 0.67 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.54 1ced h LYS 8 CO -0.52 -0.46 0.15 0.00 -2.27 0.00 0.00 179.45 176.34 1ced h ALA 9 N -0.25 0.91 0.54 5.00 0.00 0.21 0.24 119.26 125.92 1ced h ALA 9 Ca -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 9 Cb 0.57 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ced h ALA 9 CO 0.10 -0.35 -0.30 0.28 0.00 0.00 0.00 179.25 178.98 1ced h VAL 10 N 0.24 0.39 -0.19 0.00 2.07 -0.87 -2.82 116.25 115.06 1ced h VAL 10 Ca 0.41 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.96 1ced h VAL 10 Cb 0.70 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1ced h VAL 10 CO -0.52 0.00 -0.54 0.15 0.02 0.00 0.00 177.57 176.68 1ced h PHE 11 N -0.78 -1.60 -0.97 1.57 3.57 0.11 0.19 116.94 119.03 1ced h PHE 11 Ca -0.07 0.06 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1ced h PHE 11 Cb 0.62 0.73 -0.14 0.00 2.79 0.00 0.00 35.95 39.95 1ced h PHE 11 CO -0.07 -0.53 0.50 -0.44 -2.23 0.00 0.00 178.31 175.54 1ced h ASP 12 N -0.54 0.46 0.12 0.41 5.19 -0.69 0.17 116.42 121.55 1ced h ASP 12 Ca 0.05 0.17 -0.23 0.00 -0.62 0.00 0.00 57.03 56.39 1ced h ASP 12 Cb 0.66 0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.30 1ced h ASP 12 CO -0.47 -0.05 -1.14 1.23 -3.12 0.00 0.00 179.24 175.69 1ced h GLY 13 N 0.39 0.30 0.00 2.75 0.00 -0.95 -3.40 103.07 102.16 1ced h GLY 13 Ca 0.66 -0.76 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 1ced h GLY 13 CO -0.56 0.67 -2.17 0.70 0.00 0.00 0.00 176.54 175.18 1ced n ASN 14 N -4.03 1.96 -0.09 0.19 3.02 0.53 -4.71 115.26 112.13 1ced n ASN 14 Ca -0.20 -0.08 -0.15 0.00 -0.03 0.00 0.00 54.58 54.12 1ced n ASN 14 Cb 0.86 0.04 -0.07 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.24 2.90 -0.96 0.00 0.00 -1.25 0.75 119.26 120.44 1ced h ALA 16 Ca -0.41 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.75 1ced h ALA 16 Cb 1.53 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.21 1ced h ALA 16 CO -0.14 -1.25 0.02 0.00 0.00 0.00 0.00 179.25 177.88 1ced n ALA 17 N -2.69 0.49 -0.06 0.00 0.00 -1.26 -0.19 120.51 116.80 1ced n ALA 17 Ca 0.25 1.03 -0.04 0.00 0.00 0.00 0.00 53.44 54.69 1ced n ALA 17 Cb 1.15 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.41 1.28 -1.66 0.00 8.25 -0.04 -0.34 115.22 120.30 1ced n HIS 19 Ca -0.18 -1.83 -0.62 0.00 -0.26 0.00 0.00 57.72 54.83 1ced n HIS 19 Cb 0.84 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.99 -0.55 -3.65 -1.41 0.00 0.73 0.58 120.51 115.23 1ced n ALA 20 Ca 0.32 0.38 -0.24 0.00 0.00 0.00 0.00 53.44 53.90 1ced n ALA 20 Cb 0.86 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 18.28 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 4.66 -0.51 2.96 0.00 0.00 -1.26 -0.53 105.19 110.51 1ced n GLY 21 Ca 0.33 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.83 0.23 3.44 -0.02 0.00 0.19 -4.85 105.19 102.35 1ced n GLY 22 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 2.22 -0.76 -0.02 0.00 0.31 -1.06 107.32 106.00 1ced s GLY 23 Ca 0.00 -3.06 -0.34 0.00 0.00 0.00 0.00 44.72 41.32 1ced s GLY 23 CO 0.00 1.91 2.48 0.70 0.00 0.00 0.00 173.10 178.19 1ced n ASN 24 N 5.81 0.79 -0.01 1.64 4.13 -1.25 -3.68 115.26 122.69 1ced n ASN 24 Ca 0.27 0.26 -0.18 0.00 1.68 0.00 0.00 54.58 56.61 1ced n ASN 24 Cb 0.47 -1.02 -0.08 0.00 -1.54 0.00 0.00 39.78 37.61 1ced n ASN 24 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1ced h ASN 25 N 12.04 0.92 0.03 6.41 -0.26 -1.02 -3.25 115.58 130.46 1ced h ASN 25 Ca -0.10 -0.65 -0.00 0.00 -0.56 0.00 0.00 56.30 54.98 1ced h ASN 25 Cb 1.34 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1ced h ASN 25 CO 1.25 1.43 -0.02 0.58 -1.06 0.00 0.00 177.43 179.62 1ced h VAL 26 N 0.48 1.25 -3.22 2.81 2.07 -1.88 -3.37 116.25 114.38 1ced h VAL 26 Ca -0.07 -0.89 -0.63 0.00 0.82 0.00 0.00 66.70 65.93 1ced h VAL 26 Cb 1.45 1.84 -0.41 0.00 -1.52 0.00 0.00 31.29 32.65 1ced h VAL 26 CO 0.17 0.23 -0.64 -0.63 0.02 0.00 0.00 177.57 176.72 1ced s ILE 27 N -4.61 2.46 0.26 4.57 1.01 -1.26 -5.04 121.20 118.59 1ced s ILE 27 Ca -0.15 -3.46 -0.03 0.00 0.00 0.00 0.00 60.65 57.01 1ced s ILE 27 Cb 0.02 -2.68 0.39 0.00 0.01 0.00 0.00 42.46 40.21 1ced s ILE 27 CO 0.66 -0.88 1.40 -2.65 0.00 0.00 0.00 174.94 173.47 1ced n PRO 28 N 2.85 -0.08 0.17 2.79 -0.02 -1.22 -0.94 135.00 138.56 1ced n PRO 28 Ca 0.10 1.37 0.12 0.00 -2.02 0.00 0.00 63.50 63.07 1ced n PRO 28 Cb 0.34 -2.10 0.14 0.00 -0.02 0.00 0.00 33.50 31.85 1ced n PRO 28 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1ced h ASP 29 N 0.00 0.00 -0.30 2.55 2.03 -1.96 -3.39 116.42 115.35 1ced h ASP 29 Ca 0.48 -0.01 -0.21 0.00 -0.73 0.00 0.00 57.03 56.57 1ced h ASP 29 Cb 0.88 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.29 1ced h ASP 29 CO -0.88 0.00 0.11 1.57 -1.03 0.00 0.00 179.24 179.01 1ced n HIS 30 N -2.89 0.70 -1.27 4.15 -0.00 -0.11 -4.86 115.22 110.94 1ced n HIS 30 Ca 0.03 -1.53 -0.30 0.00 0.46 0.00 0.00 57.72 56.38 1ced n HIS 30 Cb 0.52 -0.98 0.11 0.00 -0.12 0.00 0.00 29.99 29.52 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 -0.82 2.99 0.00 3.57 -4.23 -1.26 -4.75 115.64 111.15 1ced s THR 31 Ca 0.31 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1ced s THR 31 Cb 0.19 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1ced s THR 31 CO -0.03 -0.42 1.71 0.18 -0.54 0.00 0.00 174.62 175.51 1ced n LEU 32 N -3.68 4.17 -4.33 4.79 4.77 -0.23 -4.22 117.00 118.27 1ced n LEU 32 Ca 0.08 -1.96 -0.26 0.00 -0.03 0.00 0.00 56.01 53.84 1ced n LEU 32 Cb 0.54 -0.91 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 1ced n LEU 32 CO 0.55 0.83 -0.54 0.00 -1.33 0.00 0.00 177.39 176.90 1ced s GLN 33 N 0.54 1.29 0.09 3.23 -2.07 -1.26 -4.24 119.66 117.25 1ced s GLN 33 Ca 0.06 -1.22 -0.17 0.00 -1.82 0.00 0.00 55.36 52.21 1ced s GLN 33 Cb 0.03 -1.63 -0.04 0.00 -1.09 0.00 0.00 33.01 30.28 1ced s GLN 33 CO 0.00 0.39 1.14 1.17 -1.32 0.00 0.00 175.29 176.66 1ced n LYS 34 N 1.12 -0.24 -0.14 9.60 4.81 -1.22 -0.31 118.16 131.78 1ced n LYS 34 Ca -0.19 1.12 0.23 0.00 -0.87 0.00 0.00 58.31 58.61 1ced n LYS 34 Cb 0.53 -1.65 0.66 0.00 0.02 0.00 0.00 35.03 34.59 1ced n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ced h ALA 35 N -0.03 2.58 0.11 3.14 0.00 -1.95 0.15 119.26 123.25 1ced h ALA 35 Ca 0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 1ced h ALA 35 Cb 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ced h ALA 35 CO -0.51 -0.80 -1.39 0.00 0.00 0.00 0.00 179.25 176.55 1ced h ALA 36 N 1.62 0.18 -0.00 0.00 0.00 -0.92 -3.34 119.26 116.80 1ced h ALA 36 Ca 0.38 -1.09 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1ced h ALA 36 Cb 1.34 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1ced h ALA 36 CO -0.04 0.81 -0.08 0.82 0.00 0.00 0.00 179.25 180.76 1ced h ILE 37 N -0.34 0.79 0.00 0.00 2.04 0.45 0.36 117.51 120.81 1ced h ILE 37 Ca -0.30 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1ced h ILE 37 Cb 1.73 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1ced h ILE 37 CO 0.05 0.00 -0.04 -0.33 0.00 0.00 0.00 178.15 177.83 1ced h GLU 38 N -0.14 0.00 0.12 2.37 5.08 -0.96 0.18 114.58 121.23 1ced h GLU 38 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ced h GLU 38 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ced h GLU 38 CO -0.09 0.04 -0.06 1.96 -1.00 0.00 0.00 179.01 179.87 1ced h GLN 39 N 0.00 -0.15 0.24 2.33 1.08 -1.58 -3.43 115.11 113.61 1ced h GLN 39 Ca -0.00 0.01 -0.34 0.00 -1.45 0.00 0.00 58.65 56.87 1ced h GLN 39 Cb 0.07 0.03 0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1ced h GLN 39 CO 0.01 -0.05 -1.52 0.74 -0.95 0.00 0.00 178.83 177.06 1ced h PHE 40 N -1.04 0.94 -1.79 2.96 0.04 -0.61 -3.43 116.94 114.01 1ced h PHE 40 Ca -0.02 -0.68 -0.49 0.00 2.80 0.00 0.00 57.97 59.58 1ced h PHE 40 Cb 0.17 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1ced h PHE 40 CO 0.01 1.57 1.55 -1.17 -0.60 0.00 0.00 178.31 179.68 1ced s LEU 41 N -7.53 3.40 0.07 1.54 1.98 0.62 -4.88 118.68 113.88 1ced s LEU 41 Ca -0.10 1.13 -0.13 0.00 -2.89 0.00 0.00 54.13 52.13 1ced s LEU 41 Cb 0.04 -2.73 -0.03 0.00 0.66 0.00 0.00 46.19 44.13 1ced s LEU 41 CO 0.93 -2.60 0.88 -0.90 -1.89 0.00 0.00 176.35 172.78 1ced n ASP 42 N 14.47 -0.46 0.00 3.68 5.68 -1.26 -0.26 116.55 138.40 1ced n ASP 42 Ca 0.32 0.99 0.07 0.00 -0.50 0.00 0.00 54.79 55.67 1ced n ASP 42 Cb 0.52 -0.21 0.39 0.00 -1.14 0.00 0.00 41.12 40.68 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 -1.11 -0.70 0.00 6.12 0.00 -1.26 -5.00 105.19 103.25 1ced n GLY 43 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.05 -0.95 3.15 -0.02 0.00 0.64 -4.49 105.19 103.47 1ced n GLY 44 Ca 0.08 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.97 2.68 -4.22 1.61 7.35 -1.26 -4.63 117.46 118.02 1ced n PHE 45 Ca 0.00 -2.12 -0.17 0.00 -0.76 0.00 0.00 57.45 54.41 1ced n PHE 45 Cb 0.00 -2.16 -0.13 0.00 0.35 0.00 0.00 39.48 37.54 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 4.77 1.05 0.07 -2.13 0.01 -1.26 -5.06 114.94 112.39 1ced s ASN 46 Ca 0.57 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 52.14 1ced s ASN 46 Cb 0.11 -0.06 -0.15 0.00 0.41 0.00 0.00 41.25 41.56 1ced s ASN 46 CO 0.07 -0.02 1.66 0.40 -1.51 0.00 0.00 177.10 177.70 1ced h ILE 47 N 4.70 1.08 -0.84 0.60 1.08 -1.96 -0.01 117.51 122.17 1ced h ILE 47 Ca -0.33 -0.22 0.09 0.00 -0.39 0.00 0.00 64.86 64.00 1ced h ILE 47 Cb 1.19 1.18 -0.12 0.00 -3.07 0.00 0.00 36.82 36.01 1ced h ILE 47 CO 0.45 0.06 -0.54 -0.33 -0.69 0.00 0.00 178.15 177.10 1ced h GLU 48 N -0.05 -0.10 -0.26 2.37 3.07 -1.97 0.19 114.58 117.82 1ced h GLU 48 Ca 0.01 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1ced h GLU 48 Cb 0.09 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1ced h GLU 48 CO -0.00 -0.07 -0.03 0.00 -1.40 0.00 0.00 179.01 177.52 1ced h ALA 49 N 0.50 0.21 0.51 3.43 0.00 -1.71 0.11 119.26 122.32 1ced h ALA 49 Ca 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ced h ALA 49 Cb 0.49 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ced h ALA 49 CO -0.85 -0.44 -0.45 0.82 0.00 0.00 0.00 179.25 178.33 1ced h ILE 50 N 0.05 0.10 -0.46 0.00 1.08 -0.07 -1.87 117.51 116.33 1ced h ILE 50 Ca 0.13 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.69 1ced h ILE 50 Cb 0.18 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 33.94 1ced h ILE 50 CO -0.23 0.00 -0.09 0.58 -0.69 0.00 0.00 178.15 177.72 1ced h VAL 51 N -0.96 0.56 -0.81 1.67 2.07 -0.37 -0.06 116.25 118.35 1ced h VAL 51 Ca -0.06 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1ced h VAL 51 Cb 0.83 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 1ced h VAL 51 CO -0.03 0.00 0.36 0.22 0.02 0.00 0.00 177.57 178.15 1ced h TYR 52 N 0.02 0.62 0.48 1.57 3.20 -0.63 0.24 116.97 122.48 1ced h TYR 52 Ca 0.22 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1ced h TYR 52 Cb 0.34 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1ced h TYR 52 CO -0.37 0.09 -0.23 0.37 -1.64 0.00 0.00 178.16 176.38 1ced h GLN 53 N 0.51 -0.62 -0.26 1.82 5.75 -0.19 -0.85 115.11 121.27 1ced h GLN 53 Ca 0.45 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 59.04 1ced h GLN 53 Cb 0.69 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.34 1ced h GLN 53 CO -0.40 -0.41 -0.02 0.82 -2.65 0.00 0.00 178.83 176.17 1ced h ILE 54 N -0.65 0.79 0.00 2.39 5.03 -0.38 0.23 117.51 124.92 1ced h ILE 54 Ca -0.07 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1ced h ILE 54 Cb 0.50 0.73 -0.01 0.00 -3.03 0.00 0.00 36.82 35.01 1ced h ILE 54 CO 0.11 0.01 -0.06 -0.33 -0.68 0.00 0.00 178.15 177.20 1ced h GLU 55 N 0.06 -0.07 0.00 2.37 5.08 -0.54 0.75 114.58 122.23 1ced h GLU 55 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1ced h GLU 55 Cb 0.17 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ced h GLU 55 CO -0.22 -0.05 -0.96 -0.91 -1.00 0.00 0.00 179.01 175.87 1ced h ASN 56 N -0.08 0.00 -4.02 1.42 2.35 -0.87 0.43 115.58 114.81 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 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1ced h ASN 56 CO -0.04 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.37 1ced n GLY 57 N 1.18 -2.57 0.00 2.83 0.00 0.04 -4.39 105.19 102.29 1ced n GLY 57 Ca -0.00 -1.42 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 -1.81 0.00 -0.38 1.61 3.00 0.48 -4.87 118.16 116.19 1ced n LYS 58 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1ced n LYS 58 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -2.13 2.62 3.14 0.00 -1.26 -1.04 105.19 106.52 1ced n GLY 59 Ca 0.00 1.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.98 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 -3.43 3.81 -3.76 4.61 0.00 -1.26 -5.07 120.51 115.41 1ced n ALA 60 Ca 0.07 -3.42 -0.23 0.00 0.00 0.00 0.00 53.44 49.87 1ced n ALA 60 Cb 0.34 -0.84 -0.17 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.22 0.66 0.54 0.00 0.00 -0.21 -5.07 119.30 112.00 1ced s MET 61 Ca 0.32 0.07 -0.20 0.00 0.00 0.00 0.00 55.69 55.88 1ced s MET 61 Cb 0.45 -0.97 -0.06 0.00 0.00 0.00 0.00 34.83 34.25 1ced s MET 61 CO -0.02 -0.28 1.14 -1.25 0.00 0.00 0.00 175.02 174.62 1ced s PRO 62 N 1.84 3.38 0.64 4.11 0.04 -1.26 -0.39 135.00 143.36 1ced s PRO 62 Ca 0.03 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1ced s PRO 62 Cb -0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1ced s PRO 62 CO -0.05 -0.84 1.17 0.00 0.04 0.00 0.00 177.00 177.33 1ced s ALA 63 N -1.73 2.43 0.00 8.56 0.00 -1.26 -4.40 121.76 125.37 1ced s ALA 63 Ca 0.72 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1ced s ALA 63 Cb -0.25 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1ced s ALA 63 CO 0.28 -1.32 0.48 0.91 0.00 0.00 0.00 175.76 176.11 1ced n TRP 64 N -2.07 0.00 -1.58 0.00 7.02 0.26 -4.89 117.44 116.18 1ced n TRP 64 Ca 0.12 0.00 -0.47 0.00 -1.02 0.00 0.00 57.50 56.13 1ced n TRP 64 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.36 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 -0.02 1.32 0.00 -0.99 2.03 -0.06 -1.04 116.55 117.79 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 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 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 1.81 0.00 0.13 0.27 0.00 -1.26 -4.70 105.19 101.45 1ced n GLY 66 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.02 0.63 -3.99 1.61 1.74 -0.21 -4.97 116.66 110.45 1ced n ARG 67 Ca 0.00 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 1ced n ARG 67 Cb 0.13 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 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 -6.84 4.19 0.96 0.55 1.43 -0.93 -5.13 118.68 112.91 1ced s LEU 68 Ca -0.36 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1ced s LEU 68 Cb 0.11 -2.75 0.16 0.00 0.03 0.00 0.00 46.19 43.74 1ced s LEU 68 CO 0.57 0.01 1.10 -0.62 0.23 0.00 0.00 176.35 177.63 1ced s ASP 69 N -3.52 2.99 0.07 2.29 -1.08 -1.26 -4.81 116.67 111.35 1ced s ASP 69 Ca 0.34 1.21 -0.23 0.00 -0.52 0.00 0.00 52.55 53.35 1ced s ASP 69 Cb -0.10 -1.87 -0.15 0.00 -1.46 0.00 0.00 42.92 39.34 1ced s ASP 69 CO 0.27 -2.90 1.63 -0.33 0.52 0.00 0.00 175.17 174.36 1ced h GLU 70 N -1.74 0.04 -0.42 4.34 5.08 -2.00 0.80 114.58 120.68 1ced h GLU 70 Ca -0.53 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.70 1ced h GLU 70 Cb 1.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1ced h GLU 70 CO 0.58 0.14 -0.24 0.22 -1.00 0.00 0.00 179.01 178.71 1ced h ASP 71 N -0.08 0.94 0.31 1.42 3.58 -1.98 -0.19 116.42 120.43 1ced h ASP 71 Ca 0.01 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 1ced h ASP 71 Cb 0.12 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1ced h ASP 71 CO -0.00 1.15 -0.46 -0.08 -2.88 0.00 0.00 179.24 176.97 1ced h GLU 72 N 0.74 -0.78 -0.66 0.28 4.81 -1.92 0.36 114.58 117.40 1ced h GLU 72 Ca 0.09 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 1ced h GLU 72 Cb 0.81 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 30.26 1ced h GLU 72 CO 0.07 -0.52 -0.45 0.82 -0.73 0.00 0.00 179.01 178.20 1ced h ILE 73 N -0.81 0.07 -0.87 2.32 1.08 -0.76 0.89 117.51 119.44 1ced h ILE 73 Ca -0.04 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1ced h ILE 73 Cb 0.74 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 1ced h ILE 73 CO -0.14 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 177.89 1ced h ALA 74 N 0.68 1.60 -0.10 1.87 0.00 -0.63 -0.80 119.26 121.87 1ced h ALA 74 Ca 0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 74 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ced h ALA 74 CO -0.74 0.25 -0.22 0.78 0.00 0.00 0.00 179.25 179.32 1ced h GLY 75 N 0.92 0.36 0.98 0.00 0.00 0.14 0.01 103.07 105.47 1ced h GLY 75 Ca 0.39 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1ced h GLY 75 CO -0.15 0.39 0.23 -0.24 0.00 0.00 0.00 176.54 176.77 1ced h VAL 76 N -0.12 1.21 0.32 4.60 3.04 -0.62 0.17 116.25 124.85 1ced h VAL 76 Ca -0.00 -0.64 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1ced h VAL 76 Cb 0.82 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 1ced h VAL 76 CO 0.05 0.25 -0.31 0.00 -1.01 0.00 0.00 177.57 176.55 1ced h ALA 77 N 1.07 -0.66 -0.62 3.17 0.00 -1.11 -0.50 119.26 120.61 1ced h ALA 77 Ca 0.18 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1ced h ALA 77 Cb 0.17 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1ced h ALA 77 CO -0.02 -0.91 0.10 0.00 0.00 0.00 0.00 179.25 178.42 1ced h ALA 78 N -0.12 0.71 0.13 0.00 0.00 -0.65 0.15 119.26 119.48 1ced h ALA 78 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ced h ALA 78 Cb 0.60 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ced h ALA 78 CO -0.05 -0.34 -0.06 -0.92 0.00 0.00 0.00 179.25 177.88 1ced h TYR 79 N 0.22 -0.16 -0.73 0.00 3.20 -0.46 0.13 116.97 119.17 1ced h TYR 79 Ca 0.33 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.30 1ced h TYR 79 Cb 0.52 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 1ced h TYR 79 CO -0.28 -0.08 0.36 0.28 -1.64 0.00 0.00 178.16 176.80 1ced h VAL 80 N -0.19 0.83 0.01 1.81 2.07 -0.64 0.73 116.25 120.86 1ced h VAL 80 Ca -0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1ced h VAL 80 Cb 0.15 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1ced h VAL 80 CO 0.03 0.11 -0.02 0.22 0.02 0.00 0.00 177.57 177.93 1ced h TYR 81 N 0.60 -0.05 0.14 1.57 5.03 -0.03 0.95 116.97 125.17 1ced h TYR 81 Ca 0.37 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.70 1ced h TYR 81 Cb 0.41 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.67 1ced h TYR 81 CO -0.11 -0.03 -0.36 0.22 -1.32 0.00 0.00 178.16 176.56 1ced h ASP 82 N -0.04 -1.03 -0.29 -2.11 3.58 -0.27 0.23 116.42 116.47 1ced h ASP 82 Ca 0.01 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.64 1ced h ASP 82 Cb 0.05 0.39 -0.08 0.00 1.72 0.00 0.00 39.33 41.41 1ced h ASP 82 CO -0.02 -0.44 -0.24 1.56 -2.88 0.00 0.00 179.24 177.22 1ced h GLN 83 N -0.60 -0.22 -0.41 0.28 1.08 -0.69 -0.25 115.11 114.31 1ced h GLN 83 Ca 0.02 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1ced h GLN 83 Cb 0.62 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1ced h GLN 83 CO -0.20 -0.14 0.22 0.00 -0.95 0.00 0.00 178.83 177.76 1ced h ALA 84 N 0.87 0.52 0.26 3.87 0.00 -0.57 0.52 119.26 124.73 1ced h ALA 84 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 84 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ced h ALA 84 CO -0.42 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 178.75 1ced h ALA 85 N 1.08 -0.35 0.00 0.00 0.00 -0.01 -0.81 119.26 119.17 1ced h ALA 85 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ced h ALA 85 Cb 0.06 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ced h ALA 85 CO -0.02 -0.67 -0.15 0.78 0.00 0.00 0.00 179.25 179.19 1ced h GLY 86 N -0.42 0.00 -5.86 0.00 0.00 -1.06 -3.47 103.07 92.27 1ced h GLY 86 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.90 1ced h GLY 86 CO 0.06 0.00 -0.69 -2.01 0.00 0.00 0.00 176.54 173.90 1ced n ASN 87 N -3.70 -6.07 -2.27 0.19 5.15 0.16 -4.91 115.26 103.81 1ced n ASN 87 Ca -0.02 -0.55 -0.31 0.00 -0.60 0.00 0.00 54.58 53.10 1ced n ASN 87 Cb 0.27 -5.00 0.11 0.00 -0.53 0.00 0.00 39.78 34.62 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 -4.95 2.59 0.00 1.20 2.85 0.07 -4.98 118.16 114.94 1ced n LYS 88 Ca -0.01 -3.25 0.12 0.00 -1.05 0.00 0.00 58.31 54.13 1ced n LYS 88 Cb 0.57 -2.25 0.72 0.00 -0.65 0.00 0.00 35.03 33.42 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26