#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p68 s TYR 2 N 0.00 1.00 0.00 2.03 2.02 -1.26 -4.84 117.35 116.29 1p68 s TYR 2 Ca 0.00 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1p68 s TYR 2 Cb 0.00 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 1p68 s TYR 2 CO 0.00 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.38 1p68 n GLY 3 N 2.75 3.94 0.21 0.71 0.00 -1.26 -4.61 105.19 106.93 1p68 n GLY 3 Ca -0.14 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.08 1p68 n GLY 3 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p68 h LYS 4 N 0.00 0.00 -0.34 1.61 1.63 -1.96 -1.56 116.57 115.96 1p68 h LYS 4 Ca 0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1p68 h LYS 4 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1p68 h LYS 4 CO 0.00 0.00 0.50 1.25 -3.45 0.00 0.00 179.45 177.75 1p68 h LEU 5 N 0.00 0.00 -0.27 5.20 7.12 -1.93 0.41 115.31 125.84 1p68 h LEU 5 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1p68 h LEU 5 Cb 0.16 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1p68 h LEU 5 CO 0.00 0.00 0.10 -1.13 -0.13 0.00 0.00 178.44 177.28 1p68 h ASN 6 N 0.00 0.39 -1.07 1.25 -0.73 -1.68 0.89 115.58 114.63 1p68 h ASN 6 Ca 0.16 -0.19 0.29 0.00 1.87 0.00 0.00 56.30 58.43 1p68 h ASN 6 Cb 1.17 -0.10 -0.09 0.00 0.27 0.00 0.00 38.32 39.57 1p68 h ASN 6 CO -0.00 0.47 0.71 -0.78 -0.37 0.00 0.00 177.43 177.45 1p68 h ASP 7 N 0.28 0.35 0.65 1.15 3.58 -0.39 1.18 116.42 123.22 1p68 h ASP 7 Ca 0.09 0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.36 1p68 h ASP 7 Cb 0.21 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1p68 h ASP 7 CO -0.01 0.06 -1.50 0.25 -2.88 0.00 0.00 179.24 175.17 1p68 h LEU 8 N 0.30 0.00 -0.81 2.28 7.12 -1.37 -3.34 115.31 119.50 1p68 h LEU 8 Ca 0.59 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.48 1p68 h LEU 8 Cb 1.68 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.80 1p68 h LEU 8 CO -0.24 0.91 -0.48 0.25 -0.13 0.00 0.00 178.44 178.75 1p68 h LEU 9 N 0.00 0.31 -0.96 2.25 6.46 0.80 -3.05 115.31 121.12 1p68 h LEU 9 Ca -0.21 -0.14 0.12 0.00 -0.12 0.00 0.00 57.88 57.52 1p68 h LEU 9 Cb 1.88 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 41.64 1p68 h LEU 9 CO 0.08 0.74 0.59 -0.33 -0.62 0.00 0.00 178.44 178.90 1p68 h GLU 10 N 0.23 0.90 -0.85 1.25 4.39 0.86 -1.55 114.58 119.81 1p68 h GLU 10 Ca 0.01 -0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.86 1p68 h GLU 10 Cb 0.93 -0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.25 1p68 h GLU 10 CO 0.08 0.60 0.31 0.22 -1.16 0.00 0.00 179.01 179.06 1p68 h ASP 11 N 0.93 0.21 0.76 1.42 1.82 -1.70 -0.83 116.42 119.03 1p68 h ASP 11 Ca 0.48 0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 57.24 1p68 h ASP 11 Cb 0.48 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 1p68 h ASP 11 CO -0.27 -0.01 -0.47 0.25 -1.61 0.00 0.00 179.24 177.12 1p68 h LEU 12 N 0.36 -1.20 -0.93 2.28 6.46 -1.44 0.30 115.31 121.14 1p68 h LEU 12 Ca 0.51 0.07 0.17 0.00 -0.12 0.00 0.00 57.88 58.51 1p68 h LEU 12 Cb 0.94 0.35 -0.10 0.00 -0.73 0.00 0.00 40.66 41.12 1p68 h LEU 12 CO -0.53 -0.72 0.52 -0.61 -0.62 0.00 0.00 178.44 176.48 1p68 h GLN 13 N -1.15 0.66 0.00 1.25 5.75 -1.35 0.53 115.11 120.80 1p68 h GLN 13 Ca -0.10 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1p68 h GLN 13 Cb 0.93 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.32 1p68 h GLN 13 CO 0.10 0.44 -0.14 1.05 -2.65 0.00 0.00 178.83 177.62 1p68 h GLU 14 N 0.68 0.00 0.00 1.69 4.11 -0.94 -2.79 114.58 117.33 1p68 h GLU 14 Ca 0.52 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.85 1p68 h GLU 14 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1p68 h GLU 14 CO -0.38 0.14 -0.51 -0.24 0.07 0.00 0.00 179.01 178.09 1p68 h VAL 15 N 0.00 1.08 -0.30 -1.06 3.04 0.39 -3.01 116.25 116.38 1p68 h VAL 15 Ca -0.00 -1.94 -0.07 0.00 -1.01 0.00 0.00 66.70 63.67 1p68 h VAL 15 Cb 0.82 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1p68 h VAL 15 CO 0.02 0.50 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.89 1p68 h LEU 16 N 0.00 0.50 -0.93 3.16 -0.00 -0.95 -2.76 115.31 114.33 1p68 h LEU 16 Ca -0.01 -0.13 0.27 0.00 -0.00 0.00 0.00 57.88 58.02 1p68 h LEU 16 Cb 1.10 -0.13 -0.15 0.00 -0.00 0.00 0.00 40.66 41.48 1p68 h LEU 16 CO 0.07 0.65 0.34 0.50 -0.00 0.00 0.00 178.44 180.00 1p68 h LYS 17 N 0.48 0.22 -0.34 1.13 3.11 -1.60 1.02 116.57 120.59 1p68 h LYS 17 Ca 0.09 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.82 1p68 h LYS 17 Cb 0.49 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1p68 h LYS 17 CO 0.03 0.15 -0.17 -0.97 -2.81 0.00 0.00 179.45 175.68 1p68 h ASN 18 N 0.23 0.74 -0.90 4.20 -0.73 -1.66 -2.91 115.58 114.55 1p68 h ASN 18 Ca 0.62 -0.41 0.15 0.00 1.87 0.00 0.00 56.30 58.54 1p68 h ASN 18 Cb 1.34 -0.20 -0.07 0.00 0.27 0.00 0.00 38.32 39.65 1p68 h ASN 18 CO -0.66 0.98 0.58 0.25 -0.37 0.00 0.00 177.43 178.21 1p68 h LEU 19 N 0.50 0.63 -1.56 0.34 6.46 0.10 -0.03 115.31 121.75 1p68 h LEU 19 Ca 0.08 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.03 1p68 h LEU 19 Cb 0.70 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1p68 h LEU 19 CO 0.05 0.31 0.52 0.45 -0.62 0.00 0.00 178.44 179.15 1p68 h HIS 20 N 0.66 0.51 -0.20 1.25 3.86 -0.59 1.09 115.15 121.74 1p68 h HIS 20 Ca 0.46 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1p68 h HIS 20 Cb 0.78 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1p68 h HIS 20 CO -0.00 0.19 0.00 1.63 0.86 0.00 0.00 177.93 180.61 1p68 n LYS 21 N -4.49 2.05 0.00 2.45 4.76 -0.04 -4.28 118.16 118.61 1p68 n LYS 21 Ca 0.15 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 54.03 1p68 n LYS 21 Cb 0.55 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1p68 n LYS 21 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1p68 n ASN 22 N 0.81 0.05 0.08 4.39 4.13 0.04 -4.78 115.26 119.98 1p68 n ASN 22 Ca 0.17 -0.86 -0.10 0.00 1.68 0.00 0.00 54.58 55.47 1p68 n ASN 22 Cb 0.46 0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.64 1p68 n ASN 22 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1p68 h TRP 23 N 0.00 -0.27 0.00 3.10 5.08 0.94 -2.77 115.95 122.03 1p68 h TRP 23 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.96 1p68 h TRP 23 Cb 0.40 0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 1p68 h TRP 23 CO 0.00 0.09 0.00 1.58 -1.28 0.00 0.00 178.44 178.83 1p68 n HIS 24 N -4.97 0.00 -0.99 0.12 -0.00 -1.26 -3.39 115.22 104.73 1p68 n HIS 24 Ca -0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.76 1p68 n HIS 24 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.20 1p68 n HIS 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1p68 n GLY 25 N 0.00 -1.40 2.83 1.57 0.00 -1.26 -4.95 105.19 101.99 1p68 n GLY 25 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1p68 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p68 n GLY 26 N -3.15 -1.29 0.44 -0.02 0.00 -1.26 -4.65 105.19 95.25 1p68 n GLY 26 Ca -0.02 1.14 0.25 0.00 0.00 0.00 0.00 46.02 47.40 1p68 n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p68 h LYS 27 N 1.78 0.00 -0.26 1.61 3.11 -1.93 1.02 116.57 121.91 1p68 h LYS 27 Ca 0.00 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.90 1p68 h LYS 27 Cb 0.97 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 1p68 h LYS 27 CO 0.20 0.00 0.18 -0.44 -2.81 0.00 0.00 179.45 176.59 1p68 h ASP 28 N 0.00 0.07 0.17 4.20 5.19 -1.96 0.85 116.42 124.95 1p68 h ASP 28 Ca 0.32 -0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.43 1p68 h ASP 28 Cb 1.59 -0.02 0.03 0.00 0.18 0.00 0.00 39.33 41.12 1p68 h ASP 28 CO -0.00 0.05 -1.29 0.78 -3.12 0.00 0.00 179.24 175.65 1p68 h ASN 29 N 0.08 0.83 -0.29 6.45 2.35 0.83 -3.25 115.58 122.58 1p68 h ASN 29 Ca 0.12 -0.87 -0.08 0.00 -0.55 0.00 0.00 56.30 54.91 1p68 h ASN 29 Cb 0.37 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1p68 h ASN 29 CO -0.01 1.63 -0.09 0.25 -1.65 0.00 0.00 177.43 177.56 1p68 h LEU 30 N 0.16 0.68 -0.89 1.61 7.12 -1.01 -2.91 115.31 120.08 1p68 h LEU 30 Ca -0.21 -0.19 0.24 0.00 0.13 0.00 0.00 57.88 57.85 1p68 h LEU 30 Cb 1.98 -0.18 -0.13 0.00 -0.53 0.00 0.00 40.66 41.80 1p68 h LEU 30 CO 0.25 0.81 0.32 -0.74 -0.13 0.00 0.00 178.44 178.95 1p68 h HIS 31 N 0.64 0.52 0.00 1.25 2.76 0.63 1.23 115.15 122.18 1p68 h HIS 31 Ca 0.11 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1p68 h HIS 31 Cb 0.54 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1p68 h HIS 31 CO 0.02 -0.14 -0.11 0.22 -1.30 0.00 0.00 177.93 176.63 1p68 h ASP 32 N 0.29 0.00 0.06 3.26 1.82 -1.62 -0.46 116.42 119.77 1p68 h ASP 32 Ca 0.57 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.95 1p68 h ASP 32 Cb 1.13 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1p68 h ASP 32 CO -0.60 0.11 -1.37 1.62 -1.61 0.00 0.00 179.24 177.39 1p68 h VAL 33 N 0.00 0.94 -0.04 2.25 3.04 0.57 -3.35 116.25 119.67 1p68 h VAL 33 Ca -0.00 -2.28 -0.19 0.00 -1.01 0.00 0.00 66.70 63.22 1p68 h VAL 33 Cb 0.91 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 32.66 1p68 h VAL 33 CO 0.01 0.55 -0.80 -0.78 -1.01 0.00 0.00 177.57 175.54 1p68 h ASP 34 N -0.60 0.41 -0.62 3.17 3.58 0.10 -2.96 116.42 119.50 1p68 h ASP 34 Ca -0.33 -0.29 0.18 0.00 0.42 0.00 0.00 57.03 57.00 1p68 h ASP 34 Cb 1.55 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.45 1p68 h ASP 34 CO -0.07 1.05 0.47 -1.13 -2.88 0.00 0.00 179.24 176.69 1p68 h ASN 35 N 0.21 0.00 0.11 2.28 -1.24 -1.22 0.75 115.58 116.47 1p68 h ASN 35 Ca -0.04 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.98 1p68 h ASN 35 Cb 1.40 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.43 1p68 h ASN 35 CO 0.13 0.00 -0.18 -0.74 -1.29 0.00 0.00 177.43 175.36 1p68 h HIS 36 N 0.00 -0.46 0.02 0.67 2.76 -1.64 0.17 115.15 116.67 1p68 h HIS 36 Ca 0.29 0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 58.26 1p68 h HIS 36 Cb 1.23 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 1p68 h HIS 36 CO 0.00 -0.26 -0.94 1.37 -1.30 0.00 0.00 177.93 176.80 1p68 h LEU 37 N -0.34 0.24 -1.26 0.26 8.10 -1.07 -2.44 115.31 118.80 1p68 h LEU 37 Ca 0.02 -0.21 0.12 0.00 0.11 0.00 0.00 57.88 57.92 1p68 h LEU 37 Cb 0.36 -0.08 -0.07 0.00 -0.44 0.00 0.00 40.66 40.43 1p68 h LEU 37 CO -0.09 1.05 0.57 -0.61 -4.11 0.00 0.00 178.44 175.25 1p68 h GLN 38 N 0.09 0.74 0.00 0.17 -0.00 0.84 0.69 115.11 117.64 1p68 h GLN 38 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.55 1p68 h GLN 38 Cb 1.60 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.91 1p68 h GLN 38 CO 0.14 0.49 -0.31 -0.97 0.00 0.00 0.00 178.83 178.18 1p68 h ASN 39 N 0.77 0.00 0.00 -0.69 -0.73 -0.61 -3.29 115.58 111.03 1p68 h ASN 39 Ca 0.43 -0.03 -0.25 0.00 1.87 0.00 0.00 56.30 58.32 1p68 h ASN 39 Cb 0.58 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.19 1p68 h ASN 39 CO -0.19 0.01 -0.97 0.58 -0.37 0.00 0.00 177.43 176.50 1p68 h VAL 40 N 0.00 1.31 -1.18 2.57 2.07 0.68 -3.23 116.25 118.46 1p68 h VAL 40 Ca 0.00 -2.22 0.35 0.00 0.82 0.00 0.00 66.70 65.65 1p68 h VAL 40 Cb 0.91 2.43 -0.11 0.00 -1.52 0.00 0.00 31.29 33.01 1p68 h VAL 40 CO 0.00 0.68 0.77 -0.29 0.02 0.00 0.00 177.57 178.75 1p68 h ILE 41 N 0.30 0.32 0.00 4.57 6.09 -0.53 1.56 117.51 129.82 1p68 h ILE 41 Ca -0.12 -0.08 -0.13 0.00 -1.37 0.00 0.00 64.86 63.16 1p68 h ILE 41 Cb 1.63 0.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.98 1p68 h ILE 41 CO 0.19 0.04 -0.63 1.05 -3.07 0.00 0.00 178.15 175.74 1p68 h GLU 42 N 0.22 0.00 0.00 2.19 -0.00 -1.73 0.16 114.58 115.42 1p68 h GLU 42 Ca 0.70 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.94 1p68 h GLU 42 Cb 2.07 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.80 1p68 h GLU 42 CO -0.34 0.63 -0.61 -0.44 -0.00 0.00 0.00 179.01 178.24 1p68 h ASP 43 N 0.00 0.00 0.00 3.06 5.19 0.20 -2.41 116.42 122.46 1p68 h ASP 43 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1p68 h ASP 43 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 1p68 h ASP 43 CO 0.08 0.61 -0.42 0.40 -3.12 0.00 0.00 179.24 176.79 1p68 h ILE 44 N 0.00 0.29 -0.09 0.35 2.04 -0.39 -2.36 117.51 117.34 1p68 h ILE 44 Ca -0.01 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1p68 h ILE 44 Cb 1.44 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1p68 h ILE 44 CO 0.08 0.10 0.08 1.12 0.00 0.00 0.00 178.15 179.53 1p68 h HIS 45 N -1.00 0.00 0.00 1.37 2.07 -0.84 0.69 115.15 117.44 1p68 h HIS 45 Ca -0.05 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.30 1p68 h HIS 45 Cb 0.51 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.46 1p68 h HIS 45 CO -0.06 0.00 -1.17 0.22 -3.07 0.00 0.00 177.93 173.84 1p68 h ASP 46 N 0.00 0.00 0.00 3.10 3.58 -1.58 -3.34 116.42 118.18 1p68 h ASP 46 Ca 0.04 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1p68 h ASP 46 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1p68 h ASP 46 CO -0.00 0.64 -0.41 -0.26 -2.88 0.00 0.00 179.24 176.33 1p68 h PHE 47 N 0.00 0.00 -0.13 0.28 -1.00 -0.34 -2.78 116.94 112.98 1p68 h PHE 47 Ca -0.12 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.70 1p68 h PHE 47 Cb 1.59 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.15 1p68 h PHE 47 CO 0.00 0.89 0.43 0.00 -1.61 0.00 0.00 178.31 178.02 1p68 h MET 48 N -1.00 0.00 -0.63 1.51 -0.00 0.09 0.97 114.93 115.87 1p68 h MET 48 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1p68 h MET 48 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 1p68 h MET 48 CO -0.06 0.00 0.00 1.04 -0.00 0.00 0.00 176.91 177.89 1p68 n GLN 49 N -3.08 2.71 0.00 -0.10 6.02 -1.25 -4.12 117.38 117.56 1p68 n GLN 49 Ca 0.01 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1p68 n GLN 49 Cb 0.51 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1p68 n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p68 n GLY 50 N 0.67 1.80 1.10 1.08 0.00 0.28 -5.02 105.19 105.09 1p68 n GLY 50 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1p68 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p68 n GLY 51 N -0.70 4.46 0.13 -0.02 0.00 0.18 -4.89 105.19 104.35 1p68 n GLY 51 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1p68 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p68 n GLY 52 N -0.83 1.50 0.34 -0.02 0.00 -1.25 -4.56 105.19 100.37 1p68 n GLY 52 Ca 0.29 -0.06 0.23 0.00 0.00 0.00 0.00 46.02 46.48 1p68 n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1p68 h SER 53 N 0.00 0.00 -0.06 1.61 0.87 -1.89 -3.25 113.55 110.83 1p68 h SER 53 Ca 0.00 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.88 1p68 h SER 53 Cb 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1p68 h SER 53 CO 0.00 0.00 2.79 0.61 -0.53 0.00 0.00 176.83 179.70 1p68 n GLY 54 N -1.08 3.69 0.00 5.77 0.00 -1.26 -3.08 105.19 109.23 1p68 n GLY 54 Ca -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1p68 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p68 n GLY 55 N 4.34 0.50 0.13 -0.02 0.00 -1.25 -5.01 105.19 103.88 1p68 n GLY 55 Ca 0.51 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 1p68 n GLY 55 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p68 h LYS 56 N 0.00 0.23 0.00 1.61 3.11 -1.57 -3.34 116.57 116.61 1p68 h LYS 56 Ca 0.00 -0.40 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 1p68 h LYS 56 Cb 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1p68 h LYS 56 CO 0.00 1.08 0.00 -0.11 -2.81 0.00 0.00 179.45 177.61 1p68 n LEU 57 N -3.41 0.25 -0.09 5.20 -0.00 -1.25 0.74 117.00 118.44 1p68 n LEU 57 Ca -0.26 0.60 -0.19 0.00 -0.00 0.00 0.00 56.01 56.16 1p68 n LEU 57 Cb 1.05 -0.60 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 1p68 n LEU 57 CO 0.46 -0.58 -0.17 0.06 -0.00 0.00 0.00 177.39 177.16 1p68 h GLN 58 N 0.00 0.00 0.01 1.96 -0.00 -1.90 -2.85 115.11 112.32 1p68 h GLN 58 Ca 0.00 -0.01 -0.27 0.00 -0.00 0.00 0.00 58.65 58.37 1p68 h GLN 58 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.55 1p68 h GLN 58 CO 0.00 1.00 -1.50 0.93 -0.00 0.00 0.00 178.83 179.27 1p68 h GLU 59 N -0.99 0.02 0.01 0.06 5.08 -1.67 -3.34 114.58 113.75 1p68 h GLU 59 Ca -0.22 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 57.92 1p68 h GLU 59 Cb 1.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1p68 h GLU 59 CO -0.13 0.68 -0.93 1.98 -1.00 0.00 0.00 179.01 179.61 1p68 h MET 60 N 0.00 0.07 -0.68 2.33 4.05 0.11 -3.21 114.93 117.61 1p68 h MET 60 Ca -0.20 -0.09 0.13 0.00 -0.28 0.00 0.00 59.70 59.25 1p68 h MET 60 Cb 1.94 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.73 1p68 h MET 60 CO 0.10 0.95 0.46 1.98 0.23 0.00 0.00 176.91 180.62 1p68 h MET 61 N 0.03 0.38 0.00 0.39 1.85 -1.59 0.25 114.93 116.25 1p68 h MET 61 Ca -0.03 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 1p68 h MET 61 Cb 1.62 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.56 1p68 h MET 61 CO 0.13 0.25 -0.23 -0.22 -0.40 0.00 0.00 176.91 176.45 1p68 h LYS 62 N 0.40 0.00 -0.25 0.39 3.64 -1.71 -1.14 116.57 117.90 1p68 h LYS 62 Ca 0.33 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.55 1p68 h LYS 62 Cb 0.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1p68 h LYS 62 CO -0.10 0.23 -0.48 1.49 -2.27 0.00 0.00 179.45 178.32 1p68 h GLU 63 N 0.00 0.67 0.00 1.90 4.57 -0.63 0.58 114.58 121.67 1p68 h GLU 63 Ca -0.00 -0.39 -0.20 0.00 -1.18 0.00 0.00 59.36 57.60 1p68 h GLU 63 Cb 0.54 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1p68 h GLU 63 CO 0.03 1.00 -1.17 0.27 -1.18 0.00 0.00 179.01 177.96 1p68 h PHE 64 N 0.53 0.00 0.00 0.92 -5.15 -1.42 -3.28 116.94 108.55 1p68 h PHE 64 Ca 0.03 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.57 1p68 h PHE 64 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.17 1p68 h PHE 64 CO 0.05 0.78 -1.16 0.37 -2.00 0.00 0.00 178.31 176.35 1p68 h GLN 65 N 0.00 0.00 -0.51 6.09 -0.00 -1.18 -3.29 115.11 116.22 1p68 h GLN 65 Ca -0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.50 1p68 h GLN 65 Cb 1.70 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.15 1p68 h GLN 65 CO 0.08 0.87 0.18 0.37 0.00 0.00 0.00 178.83 180.33 1p68 h GLN 66 N 0.00 0.75 -1.01 1.69 -0.00 0.09 -2.40 115.11 114.24 1p68 h GLN 66 Ca -0.08 -0.12 0.17 0.00 -0.00 0.00 0.00 58.65 58.63 1p68 h GLN 66 Cb 1.82 -0.13 -0.10 0.00 0.00 0.00 0.00 27.48 29.07 1p68 h GLN 66 CO 0.12 0.64 0.62 0.28 0.00 0.00 0.00 178.83 180.48 1p68 h VAL 67 N 0.73 0.77 0.00 2.39 2.07 -1.63 0.88 116.25 121.46 1p68 h VAL 67 Ca 0.17 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1p68 h VAL 67 Cb 0.19 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1p68 h VAL 67 CO -0.01 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1p68 n LEU 68 N -4.72 0.00 -0.02 2.57 4.32 -0.90 -3.26 117.00 114.98 1p68 n LEU 68 Ca 0.22 0.26 -0.06 0.00 -0.02 0.00 0.00 56.01 56.41 1p68 n LEU 68 Cb 0.51 -0.26 -0.05 0.00 -1.62 0.00 0.00 43.42 42.00 1p68 n LEU 68 CO 0.23 -0.08 0.19 0.44 -1.22 0.00 0.00 177.39 176.95 1p68 h ASP 69 N 0.00 -0.07 -0.82 -1.43 5.19 0.77 1.15 116.42 121.21 1p68 h ASP 69 Ca 0.00 -0.33 0.21 0.00 -0.62 0.00 0.00 57.03 56.29 1p68 h ASP 69 Cb 0.18 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 1p68 h ASP 69 CO 0.00 0.56 0.56 -0.08 -3.12 0.00 0.00 179.24 177.17 1p68 h GLU 70 N -0.99 0.21 0.02 3.56 4.57 -1.54 0.46 114.58 120.87 1p68 h GLU 70 Ca -0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1p68 h GLU 70 Cb 0.39 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1p68 h GLU 70 CO 0.01 0.14 -0.01 1.25 -1.18 0.00 0.00 179.01 179.22 1p68 h LEU 71 N 0.21 -0.03 -1.77 1.64 5.85 -1.57 -3.30 115.31 116.35 1p68 h LEU 71 Ca 0.41 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.26 1p68 h LEU 71 Cb 1.27 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1p68 h LEU 71 CO -0.09 0.22 0.58 -1.13 -0.34 0.00 0.00 178.44 177.68 1p68 h ASN 72 N -0.51 0.00 -0.14 1.25 -1.24 0.17 0.91 115.58 116.03 1p68 h ASN 72 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1p68 h ASN 72 Cb 0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1p68 h ASN 72 CO 0.01 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.74 1p68 n ASN 73 N -3.49 1.48 -1.07 1.15 5.03 0.13 -4.05 115.26 114.43 1p68 n ASN 73 Ca 0.09 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.88 1p68 n ASN 73 Cb 0.75 -0.08 -0.01 0.00 -1.02 0.00 0.00 39.78 39.42 1p68 n ASN 73 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1p68 n HIS 74 N 0.19 0.00 -1.53 3.10 8.25 0.31 -5.05 115.22 120.50 1p68 n HIS 74 Ca 0.16 -0.35 -0.22 0.00 -0.26 0.00 0.00 57.72 57.06 1p68 n HIS 74 Cb 0.31 0.08 -0.14 0.00 1.12 0.00 0.00 29.99 31.35 1p68 n HIS 74 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p68 n LEU 75 N 0.22 0.32 -3.47 2.41 7.99 -0.73 -4.04 117.00 119.70 1p68 n LEU 75 Ca -0.04 -0.84 -0.38 0.00 -0.01 0.00 0.00 56.01 54.74 1p68 n LEU 75 Cb 0.88 -1.10 -0.08 0.00 -0.11 0.00 0.00 43.42 43.01 1p68 n LEU 75 CO -0.05 -1.84 1.72 1.67 -1.51 0.00 0.00 177.39 177.37 1p68 n GLN 76 N 7.40 0.68 -2.33 3.23 7.27 -1.05 -3.97 117.38 128.62 1p68 n GLN 76 Ca 0.57 -1.28 -0.17 0.00 0.07 0.00 0.00 57.00 56.19 1p68 n GLN 76 Cb 0.28 -2.59 -0.01 0.00 2.41 0.00 0.00 30.24 30.32 1p68 n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p68 n GLY 77 N 4.64 -0.30 2.67 1.69 0.00 -1.26 -4.86 105.19 107.76 1p68 n GLY 77 Ca 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1p68 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p68 n GLY 78 N -0.87 1.77 0.37 -0.02 0.00 -1.25 -4.91 105.19 100.27 1p68 n GLY 78 Ca -0.20 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1p68 n GLY 78 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1p68 h LYS 79 N 2.94 0.62 -1.34 1.61 2.10 -1.89 -1.79 116.57 118.82 1p68 h LYS 79 Ca -0.08 -0.04 0.39 0.00 -2.00 0.00 0.00 60.65 58.92 1p68 h LYS 79 Cb 1.18 -0.14 -0.08 0.00 -0.90 0.00 0.00 32.23 32.28 1p68 h LYS 79 CO 0.49 0.41 0.92 1.12 -2.00 0.00 0.00 179.45 180.39 1p68 h HIS 80 N 0.64 0.27 0.00 0.07 2.07 -1.98 0.93 115.15 117.16 1p68 h HIS 80 Ca 0.38 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 1p68 h HIS 80 Cb 0.58 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.49 1p68 h HIS 80 CO -0.00 -0.04 0.00 2.41 -3.07 0.00 0.00 177.93 177.23 1p68 n THR 81 N -4.36 0.00 -0.34 6.12 -1.04 -0.67 -2.93 114.28 111.06 1p68 n THR 81 Ca 0.32 0.78 0.19 0.00 -2.04 0.00 0.00 64.05 63.30 1p68 n THR 81 Cb 1.36 -1.56 0.42 0.00 -1.82 0.00 0.00 70.33 68.74 1p68 n THR 81 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1p68 h VAL 82 N 0.00 0.54 -0.92 12.58 2.07 -1.54 0.40 116.25 129.38 1p68 h VAL 82 Ca 0.00 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 67.53 1p68 h VAL 82 Cb 0.00 -0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 29.62 1p68 h VAL 82 CO 0.00 0.10 0.49 0.45 0.02 0.00 0.00 177.57 178.63 1p68 h HIS 83 N 0.53 0.85 0.00 1.57 -0.00 0.80 3.51 115.15 122.41 1p68 h HIS 83 Ca 0.63 0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 60.91 1p68 h HIS 83 Cb 1.30 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.46 1p68 h HIS 83 CO -0.00 0.12 -0.58 1.25 -0.00 0.00 0.00 177.93 178.71 1p68 h HIS 84 N 0.59 0.00 0.11 2.45 2.76 -0.11 -2.18 115.15 118.77 1p68 h HIS 84 Ca 0.55 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.40 1p68 h HIS 84 Cb 0.91 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1p68 h HIS 84 CO -0.07 0.58 -1.60 -0.84 -1.30 0.00 0.00 177.93 174.70 1p68 h ILE 85 N 0.00 1.06 -0.16 6.26 3.07 0.12 -3.09 117.51 124.78 1p68 h ILE 85 Ca -0.01 -2.73 -0.10 0.00 1.55 0.00 0.00 64.86 63.57 1p68 h ILE 85 Cb 1.26 2.70 0.00 0.00 -0.27 0.00 0.00 36.82 40.51 1p68 h ILE 85 CO 0.08 0.80 -0.29 1.05 -1.05 0.00 0.00 178.15 178.73 1p68 h GLU 86 N 0.06 0.47 0.00 0.16 4.11 0.61 1.44 114.58 121.44 1p68 h GLU 86 Ca -0.27 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 58.85 1p68 h GLU 86 Cb 2.02 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1p68 h GLU 86 CO 0.15 0.90 -0.07 1.96 0.07 0.00 0.00 179.01 182.02 1p68 h GLN 87 N 0.10 0.00 0.00 1.06 1.08 -1.54 0.60 115.11 116.41 1p68 h GLN 87 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1p68 h GLN 87 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1p68 h GLN 87 CO 0.06 0.07 -0.08 -0.91 -0.95 0.00 0.00 178.83 177.03 1p68 h ASN 88 N 0.00 0.00 -0.23 1.46 2.35 -1.40 -3.04 115.58 114.71 1p68 h ASN 88 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1p68 h ASN 88 Cb 0.13 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1p68 h ASN 88 CO 0.01 0.30 -0.11 0.40 -1.65 0.00 0.00 177.43 176.38 1p68 h ILE 89 N -0.52 0.65 -0.02 2.81 2.04 0.20 1.20 117.51 123.87 1p68 h ILE 89 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1p68 h ILE 89 Cb 0.08 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1p68 h ILE 89 CO 0.00 0.00 0.02 0.11 0.00 0.00 0.00 178.15 178.28 1p68 h LYS 90 N -0.08 0.00 -0.01 2.37 1.79 0.06 0.42 116.57 121.12 1p68 h LYS 90 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1p68 h LYS 90 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1p68 h LYS 90 CO -0.29 0.00 -0.18 -1.91 -1.08 0.00 0.00 179.45 176.00 1p68 n GLU 91 N -4.46 1.16 0.11 3.15 2.13 0.35 -3.89 120.64 119.19 1p68 n GLU 91 Ca -0.02 -0.71 -0.23 0.00 0.66 0.00 0.00 57.16 56.85 1p68 n GLU 91 Cb 0.11 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.19 1p68 n GLU 91 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1p68 h ILE 92 N 1.73 1.28 0.00 6.31 5.03 0.60 -3.16 117.51 129.29 1p68 h ILE 92 Ca 0.00 -2.55 -0.00 0.00 -0.12 0.00 0.00 64.86 62.19 1p68 h ILE 92 Cb 0.53 2.84 -0.00 0.00 -3.03 0.00 0.00 36.82 37.16 1p68 h ILE 92 CO 0.00 0.77 -0.00 2.19 -0.68 0.00 0.00 178.15 180.43 1p68 h PHE 93 N 0.22 0.00 0.41 1.37 -0.00 -1.62 -1.89 116.94 115.43 1p68 h PHE 93 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.73 1p68 h PHE 93 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.97 1p68 h PHE 93 CO 0.12 0.00 -0.20 1.25 -0.00 0.00 0.00 178.31 179.49 1p68 h HIS 94 N 0.00 -0.51 0.00 6.09 2.76 -1.73 1.09 115.15 122.85 1p68 h HIS 94 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1p68 h HIS 94 Cb 0.00 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1p68 h HIS 94 CO 0.00 -0.32 0.00 0.72 -1.30 0.00 0.00 177.93 177.03 1p68 n HIS 95 N -3.63 0.11 -0.04 5.26 8.25 -1.14 0.24 115.22 124.27 1p68 n HIS 95 Ca -0.07 0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1p68 n HIS 95 Cb 0.22 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 30.73 1p68 n HIS 95 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1p68 h LEU 96 N 0.00 0.00 -0.32 2.41 3.38 -0.75 -3.24 115.31 116.78 1p68 h LEU 96 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p68 h LEU 96 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1p68 h LEU 96 CO 0.00 0.48 0.00 -0.62 0.09 0.00 0.00 178.44 178.39 1p68 n GLU 97 N -3.79 0.07 0.03 1.13 -0.58 0.37 -1.40 120.64 116.47 1p68 n GLU 97 Ca -0.04 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.18 1p68 n GLU 97 Cb 0.16 -1.65 0.18 0.00 -0.57 0.00 0.00 31.44 29.56 1p68 n GLU 97 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1p68 n GLU 98 N -1.78 0.19 -0.06 3.49 0.00 0.14 -3.12 120.64 119.49 1p68 n GLU 98 Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 57.16 57.16 1p68 n GLU 98 Cb 0.15 -1.61 -0.05 0.00 0.00 0.00 0.00 31.44 29.94 1p68 n GLU 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1p68 h LEU 99 N 0.00 0.00 -0.37 4.31 5.85 -1.26 -3.18 115.31 120.67 1p68 h LEU 99 Ca 0.00 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1p68 h LEU 99 Cb 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1p68 h LEU 99 CO 0.00 0.75 -0.03 0.58 -0.34 0.00 0.00 178.44 179.39 1p68 h VAL 100 N -1.00 1.27 -0.01 1.05 2.07 -1.73 -2.81 116.25 115.09 1p68 h VAL 100 Ca -0.03 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1p68 h VAL 100 Cb 0.44 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1p68 h VAL 100 CO -0.02 0.35 0.01 -0.74 0.02 0.00 0.00 177.57 177.19 1p68 h HIS 101 N 0.47 0.00 0.00 1.57 -0.00 -1.73 -3.48 115.15 111.98 1p68 h HIS 101 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1p68 h HIS 101 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1p68 h HIS 101 CO 0.04 0.00 0.00 -2.13 -0.00 0.00 0.00 177.93 175.84