#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 3.53 0.00 2.03 1.51 -1.26 -4.71 117.35 118.45 1p68 s TYR 2 Ca 0.00 -1.76 0.00 0.00 -1.01 0.00 0.00 57.07 54.30 1p68 s TYR 2 Cb 0.00 -3.97 0.00 0.00 -0.11 0.00 0.00 41.96 37.88 1p68 s TYR 2 CO 0.00 -1.16 0.40 0.41 -1.11 0.00 0.00 175.55 174.09 1p68 n GLY 3 N 4.52 -0.22 0.17 0.71 0.00 -1.26 -3.67 105.19 105.44 1p68 n GLY 3 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.17 1.61 1.63 -1.95 -3.19 116.57 114.49 1p68 h LYS 4 Ca 0.00 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1p68 h LYS 4 Cb 0.48 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1p68 h LYS 4 CO 0.00 0.14 0.47 1.25 -3.45 0.00 0.00 179.45 177.87 1p68 h LEU 5 N 0.00 0.00 -0.82 5.20 7.12 -1.93 0.58 115.31 125.46 1p68 h LEU 5 Ca -0.01 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1p68 h LEU 5 Cb 1.13 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.23 1p68 h LEU 5 CO 0.02 0.00 0.39 -1.13 -0.13 0.00 0.00 178.44 177.59 1p68 h ASN 6 N 0.00 1.08 -0.96 1.25 -1.24 -1.93 -1.40 115.58 112.38 1p68 h ASN 6 Ca 0.08 -0.14 0.28 0.00 0.71 0.00 0.00 56.30 57.23 1p68 h ASN 6 Cb 1.03 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.76 1p68 h ASN 6 CO -0.00 0.91 0.69 -0.78 -1.29 0.00 0.00 177.43 176.96 1p68 h ASP 7 N 1.17 0.01 0.88 1.15 3.58 -0.06 1.23 116.42 124.37 1p68 h ASP 7 Ca 0.28 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.53 1p68 h ASP 7 Cb 0.13 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1p68 h ASP 7 CO -0.03 0.00 -1.20 0.25 -2.88 0.00 0.00 179.24 175.37 1p68 h LEU 8 N 0.01 0.00 -0.42 2.28 7.12 -1.38 -3.27 115.31 119.65 1p68 h LEU 8 Ca 0.46 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.47 1p68 h LEU 8 Cb 1.82 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.95 1p68 h LEU 8 CO -0.01 0.77 0.00 0.18 -0.13 0.00 0.00 178.44 179.25 1p68 n LEU 9 N -3.11 0.45 0.01 2.25 4.77 0.41 -2.92 117.00 118.86 1p68 n LEU 9 Ca -0.07 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.33 1p68 n LEU 9 Cb 0.90 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1p68 n LEU 9 CO 0.44 -0.43 0.20 -0.33 -1.33 0.00 0.00 177.39 175.94 1p68 h GLU 10 N 0.00 0.57 -0.33 3.23 4.39 -1.32 -3.17 114.58 117.95 1p68 h GLU 10 Ca 0.00 -0.58 0.04 0.00 0.34 0.00 0.00 59.36 59.16 1p68 h GLU 10 Cb 0.35 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1p68 h GLU 10 CO 0.00 1.20 0.08 0.22 -1.16 0.00 0.00 179.01 179.35 1p68 h ASP 11 N 0.17 0.05 0.41 1.42 3.58 -1.71 -1.43 116.42 118.91 1p68 h ASP 11 Ca -0.09 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1p68 h ASP 11 Cb 1.45 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.53 1p68 h ASP 11 CO 0.15 0.07 -0.46 0.25 -2.88 0.00 0.00 179.24 176.37 1p68 h LEU 12 N 0.21 -1.29 -1.45 2.28 6.46 -1.66 0.82 115.31 120.68 1p68 h LEU 12 Ca 0.15 0.11 0.19 0.00 -0.12 0.00 0.00 57.88 58.21 1p68 h LEU 12 Cb 0.15 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1p68 h LEU 12 CO -0.18 -0.61 0.59 -0.61 -0.62 0.00 0.00 178.44 177.01 1p68 h GLN 13 N -0.90 0.46 0.00 1.25 4.15 -1.49 0.50 115.11 119.07 1p68 h GLN 13 Ca -0.04 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.20 1p68 h GLN 13 Cb 0.80 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1p68 h GLN 13 CO -0.10 0.30 -0.73 1.49 -1.93 0.00 0.00 178.83 177.86 1p68 h GLU 14 N 0.47 0.00 0.00 1.69 4.57 -0.39 -3.07 114.58 117.86 1p68 h GLU 14 Ca 0.47 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.59 1p68 h GLU 14 Cb 1.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1p68 h GLU 14 CO -0.19 0.73 -0.26 -0.24 -1.18 0.00 0.00 179.01 177.87 1p68 h VAL 15 N 0.00 0.87 -0.51 0.32 3.04 0.56 -2.46 116.25 118.07 1p68 h VAL 15 Ca -0.01 -1.01 -0.04 0.00 -1.01 0.00 0.00 66.70 64.63 1p68 h VAL 15 Cb 1.46 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 32.31 1p68 h VAL 15 CO 0.10 0.25 0.17 -0.07 -1.01 0.00 0.00 177.57 177.01 1p68 h LEU 16 N 0.00 0.69 -0.99 3.16 -0.00 -1.15 -2.24 115.31 114.77 1p68 h LEU 16 Ca -0.00 -0.10 0.28 0.00 -0.00 0.00 0.00 57.88 58.06 1p68 h LEU 16 Cb 0.58 -0.18 -0.14 0.00 -0.00 0.00 0.00 40.66 40.93 1p68 h LEU 16 CO 0.03 0.65 0.56 0.50 -0.00 0.00 0.00 178.44 180.18 1p68 h LYS 17 N 0.74 0.43 -0.44 1.13 1.63 -1.56 1.38 116.57 119.88 1p68 h LYS 17 Ca 0.17 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 1p68 h LYS 17 Cb 0.20 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1p68 h LYS 17 CO -0.01 0.29 -0.19 -0.91 -3.45 0.00 0.00 179.45 175.17 1p68 h ASN 18 N 0.44 0.93 -0.89 4.20 4.21 -1.55 -2.86 115.58 120.06 1p68 h ASN 18 Ca 0.68 -0.40 0.07 0.00 1.21 0.00 0.00 56.30 57.86 1p68 h ASN 18 Cb 1.42 -0.26 -0.06 0.00 -1.12 0.00 0.00 38.32 38.31 1p68 h ASN 18 CO -0.54 1.12 0.58 0.25 -1.29 0.00 0.00 177.43 177.55 1p68 h LEU 19 N 0.74 0.87 -1.52 1.61 6.46 0.18 -1.26 115.31 122.40 1p68 h LEU 19 Ca 0.10 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 58.08 1p68 h LEU 19 Cb 0.76 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1p68 h LEU 19 CO 0.06 0.55 0.61 0.45 -0.62 0.00 0.00 178.44 179.49 1p68 h HIS 20 N 0.99 0.53 -0.14 1.25 3.86 -0.39 1.26 115.15 122.50 1p68 h HIS 20 Ca 0.39 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1p68 h HIS 20 Cb 0.23 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1p68 h HIS 20 CO -0.00 0.13 0.00 1.63 0.86 0.00 0.00 177.93 180.55 1p68 n LYS 21 N -4.51 2.01 0.00 2.45 4.76 -0.49 -4.25 118.16 118.13 1p68 n LYS 21 Ca 0.20 -1.49 0.00 0.00 -2.87 0.00 0.00 58.31 54.15 1p68 n LYS 21 Cb 0.73 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1p68 n LYS 21 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1p68 n ASN 22 N 0.75 0.04 0.12 4.39 2.85 0.78 -4.43 115.26 119.76 1p68 n ASN 22 Ca 0.17 -1.01 -0.20 0.00 -0.11 0.00 0.00 54.58 53.43 1p68 n ASN 22 Cb 0.45 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.33 1p68 n ASN 22 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1p68 h TRP 23 N 0.00 0.69 0.00 1.20 5.08 0.12 -3.01 115.95 120.03 1p68 h TRP 23 Ca 0.00 -0.51 0.00 0.00 1.08 0.00 0.00 58.89 59.46 1p68 h TRP 23 Cb 0.78 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1p68 h TRP 23 CO 0.00 1.41 0.00 1.58 -1.28 0.00 0.00 178.44 180.15 1p68 n HIS 24 N -3.60 -0.38 0.00 0.12 -0.00 -1.16 -3.46 115.22 106.73 1p68 n HIS 24 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 1p68 n HIS 24 Cb 1.06 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 31.13 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 -1.06 4.08 1.40 1.57 0.00 -1.26 -4.65 105.19 105.28 1p68 n GLY 25 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.39 -2.85 0.40 -0.02 0.00 -1.26 -4.63 105.19 96.44 1p68 n GLY 26 Ca 0.00 -0.42 0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.00 -0.68 1.61 3.64 -1.99 0.22 116.57 119.37 1p68 h LYS 27 Ca 0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 1p68 h LYS 27 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1p68 h LYS 27 CO 0.00 0.00 0.47 -0.44 -2.27 0.00 0.00 179.45 177.21 1p68 h ASP 28 N 0.00 0.13 0.14 4.20 5.19 -1.96 0.86 116.42 124.99 1p68 h ASP 28 Ca 0.21 0.01 -0.29 0.00 -0.62 0.00 0.00 57.03 56.34 1p68 h ASP 28 Cb 1.22 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1p68 h ASP 28 CO -0.00 0.07 -1.44 -1.13 -3.12 0.00 0.00 179.24 173.61 1p68 h ASN 29 N 0.14 0.45 -0.32 6.45 -0.73 -0.81 -3.34 115.58 117.42 1p68 h ASN 29 Ca 0.33 -0.88 -0.03 0.00 1.87 0.00 0.00 56.30 57.58 1p68 h ASN 29 Cb 1.09 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.52 1p68 h ASN 29 CO -0.05 1.64 0.10 0.25 -0.37 0.00 0.00 177.43 179.01 1p68 h LEU 30 N -0.21 0.53 -1.05 0.34 7.12 -1.19 -2.59 115.31 118.26 1p68 h LEU 30 Ca -0.30 -0.07 0.27 0.00 0.13 0.00 0.00 57.88 57.91 1p68 h LEU 30 Cb 1.83 -0.14 -0.13 0.00 -0.53 0.00 0.00 40.66 41.70 1p68 h LEU 30 CO 0.10 0.53 0.61 -0.74 -0.13 0.00 0.00 178.44 178.80 1p68 h HIS 31 N 0.57 0.95 0.00 1.25 2.76 0.58 0.94 115.15 122.20 1p68 h HIS 31 Ca 0.13 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1p68 h HIS 31 Cb 0.21 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 1p68 h HIS 31 CO 0.01 0.01 -0.16 -0.44 -1.30 0.00 0.00 177.93 176.06 1p68 h ASP 32 N 0.50 0.00 0.04 3.26 3.32 -1.63 -1.17 116.42 120.74 1p68 h ASP 32 Ca 0.66 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.40 1p68 h ASP 32 Cb 1.37 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 1p68 h ASP 32 CO -0.48 0.16 -1.68 0.55 -1.72 0.00 0.00 179.24 176.07 1p68 n VAL 33 N -3.18 1.60 0.17 -1.35 3.14 0.23 -4.21 118.33 114.73 1p68 n VAL 33 Ca 0.02 -0.27 0.03 0.00 -2.96 0.00 0.00 64.34 61.16 1p68 n VAL 33 Cb 0.52 -1.91 0.26 0.00 -1.06 0.00 0.00 33.84 31.65 1p68 n VAL 33 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1p68 h ASP 34 N -0.65 0.00 -0.71 6.55 3.58 0.42 -2.74 116.42 122.86 1p68 h ASP 34 Ca -0.42 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.19 1p68 h ASP 34 Cb 1.58 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.58 1p68 h ASP 34 CO -0.15 0.46 0.49 -1.13 -2.88 0.00 0.00 179.24 176.03 1p68 h ASN 35 N 0.00 0.24 -0.23 2.28 -1.24 -1.36 1.03 115.58 116.30 1p68 h ASN 35 Ca -0.00 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 56.97 1p68 h ASN 35 Cb 1.01 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.01 1p68 h ASN 35 CO 0.06 0.12 0.01 -0.74 -1.29 0.00 0.00 177.43 175.59 1p68 h HIS 36 N 0.26 0.53 0.16 0.67 2.76 -1.65 -0.15 115.15 117.73 1p68 h HIS 36 Ca 0.35 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1p68 h HIS 36 Cb 1.00 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1p68 h HIS 36 CO -0.00 0.52 -0.08 1.25 -1.30 0.00 0.00 177.93 178.32 1p68 h LEU 37 N 0.50 -0.19 -1.43 0.26 7.12 0.93 -2.27 115.31 120.24 1p68 h LEU 37 Ca 0.11 0.01 0.31 0.00 0.13 0.00 0.00 57.88 58.44 1p68 h LEU 37 Cb 0.31 0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.39 1p68 h LEU 37 CO 0.01 -0.03 0.73 -0.61 -0.13 0.00 0.00 178.44 178.41 1p68 h GLN 38 N -0.43 0.28 -0.06 1.25 4.15 -1.16 1.12 115.11 120.26 1p68 h GLN 38 Ca -0.02 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1p68 h GLN 38 Cb 0.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1p68 h GLN 38 CO 0.04 0.18 -0.49 -0.97 -1.93 0.00 0.00 178.83 175.66 1p68 h ASN 39 N 0.29 0.17 -0.02 -0.69 -1.24 -1.07 -2.90 115.58 110.12 1p68 h ASN 39 Ca 0.64 -0.08 -0.17 0.00 0.71 0.00 0.00 56.30 57.40 1p68 h ASN 39 Cb 1.82 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 40.81 1p68 h ASN 39 CO -0.30 0.64 -0.57 0.58 -1.29 0.00 0.00 177.43 176.49 1p68 h VAL 40 N 0.13 1.32 -1.01 2.57 2.07 0.18 -3.04 116.25 118.46 1p68 h VAL 40 Ca 0.00 -1.82 0.25 0.00 0.82 0.00 0.00 66.70 65.96 1p68 h VAL 40 Cb 0.92 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 1p68 h VAL 40 CO 0.07 0.57 0.66 0.40 0.02 0.00 0.00 177.57 179.30 1p68 h ILE 41 N 0.46 0.56 0.00 4.57 1.08 -0.96 1.15 117.51 124.38 1p68 h ILE 41 Ca 0.00 -0.12 -0.09 0.00 -0.39 0.00 0.00 64.86 64.26 1p68 h ILE 41 Cb 1.13 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1p68 h ILE 41 CO 0.11 0.07 -0.42 1.05 -0.69 0.00 0.00 178.15 178.27 1p68 h GLU 42 N 0.36 0.00 0.00 2.37 -0.00 -1.59 0.30 114.58 116.02 1p68 h GLU 42 Ca 0.56 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.75 1p68 h GLU 42 Cb 1.47 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.20 1p68 h GLU 42 CO -0.24 0.42 -0.89 -0.44 -0.00 0.00 0.00 179.01 177.86 1p68 h ASP 43 N 0.00 0.00 0.00 3.06 3.32 0.11 -2.67 116.42 120.24 1p68 h ASP 43 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1p68 h ASP 43 Cb 1.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1p68 h ASP 43 CO 0.05 0.72 -0.76 0.40 -1.72 0.00 0.00 179.24 177.94 1p68 h ILE 44 N 0.00 0.85 0.00 0.35 2.04 -0.06 -2.15 117.51 118.54 1p68 h ILE 44 Ca -0.05 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 63.90 1p68 h ILE 44 Cb 1.60 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.53 1p68 h ILE 44 CO 0.09 0.29 -0.08 1.12 0.00 0.00 0.00 178.15 179.57 1p68 h HIS 45 N -1.00 0.00 0.04 1.37 2.07 -0.57 1.23 115.15 118.29 1p68 h HIS 45 Ca -0.18 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.05 1p68 h HIS 45 Cb 0.98 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.93 1p68 h HIS 45 CO 0.07 0.08 -1.56 0.22 -3.07 0.00 0.00 177.93 173.66 1p68 h ASP 46 N 0.00 0.14 0.10 3.10 1.82 -1.62 -3.36 116.42 116.60 1p68 h ASP 46 Ca -0.00 -0.24 -0.16 0.00 -0.39 0.00 0.00 57.03 56.23 1p68 h ASP 46 Cb 0.17 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.14 1p68 h ASP 46 CO 0.01 1.21 -0.77 -0.26 -1.61 0.00 0.00 179.24 177.82 1p68 h PHE 47 N 0.03 0.38 -0.43 0.28 -1.00 -0.65 -3.04 116.94 112.50 1p68 h PHE 47 Ca -0.24 -0.28 0.12 0.00 2.81 0.00 0.00 57.97 60.39 1p68 h PHE 47 Cb 1.97 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 41.50 1p68 h PHE 47 CO 0.02 1.30 0.58 0.00 -1.61 0.00 0.00 178.31 178.60 1p68 h MET 48 N -0.53 0.00 -0.50 1.51 -0.00 0.13 1.09 114.93 116.62 1p68 h MET 48 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1p68 h MET 48 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.11 1p68 h MET 48 CO 0.08 0.00 0.00 1.04 -0.00 0.00 0.00 176.91 178.03 1p68 n GLN 49 N -3.43 2.20 0.00 -0.10 6.02 -1.24 -4.16 117.38 116.67 1p68 n GLN 49 Ca 0.08 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 1p68 n GLN 49 Cb 0.75 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 0.85 1.69 1.95 1.08 0.00 0.33 -4.93 105.19 106.15 1p68 n GLY 50 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.07 4.16 0.00 -0.02 0.00 0.13 -4.82 105.19 103.57 1p68 n GLY 51 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.68 1.76 0.18 -0.02 0.00 -1.25 -4.56 105.19 100.62 1p68 n GLY 52 Ca 0.47 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.11 1.61 0.87 -1.87 -3.12 113.55 109.93 1p68 h SER 53 Ca 0.00 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.83 1p68 h SER 53 Cb 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.84 1p68 h SER 53 CO 0.00 0.00 2.21 0.61 -0.53 0.00 0.00 176.83 179.12 1p68 n GLY 54 N -0.64 4.13 0.00 5.77 0.00 -1.26 -3.69 105.19 109.50 1p68 n GLY 54 Ca -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 3.71 1.05 0.09 -0.02 0.00 -1.26 -4.98 105.19 103.78 1p68 n GLY 55 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 0.00 1.61 3.11 -1.62 -3.32 116.57 116.35 1p68 h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1p68 h LYS 56 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1p68 h LYS 56 CO 0.00 0.47 0.00 1.28 -2.81 0.00 0.00 179.45 178.39 1p68 n LEU 57 N -3.03 0.00 -0.09 5.20 7.99 -1.25 -0.17 117.00 125.64 1p68 n LEU 57 Ca -0.11 0.46 -0.18 0.00 -0.01 0.00 0.00 56.01 56.17 1p68 n LEU 57 Cb 0.94 -0.46 -0.11 0.00 -0.11 0.00 0.00 43.42 43.68 1p68 n LEU 57 CO 0.44 -0.23 -0.24 0.06 -1.51 0.00 0.00 177.39 175.92 1p68 h GLN 58 N 0.00 0.00 0.03 3.23 3.07 -1.91 -2.97 115.11 116.56 1p68 h GLN 58 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.46 1p68 h GLN 58 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.76 1p68 h GLN 58 CO 0.00 0.92 -1.50 0.93 0.09 0.00 0.00 178.83 179.27 1p68 h GLU 59 N -1.00 0.07 0.01 0.06 4.39 -1.72 -3.34 114.58 113.05 1p68 h GLU 59 Ca -0.22 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.16 1p68 h GLU 59 Cb 1.14 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1p68 h GLU 59 CO -0.13 0.80 -0.95 1.98 -1.16 0.00 0.00 179.01 179.54 1p68 h MET 60 N 0.02 0.05 -0.84 2.33 4.05 -0.77 -3.27 114.93 116.50 1p68 h MET 60 Ca -0.21 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.16 1p68 h MET 60 Cb 1.95 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 32.73 1p68 h MET 60 CO 0.11 0.96 0.55 1.98 0.23 0.00 0.00 176.91 180.74 1p68 h MET 61 N 0.02 1.06 0.00 0.39 1.85 -1.61 0.49 114.93 117.14 1p68 h MET 61 Ca -0.03 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1p68 h MET 61 Cb 1.66 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 33.45 1p68 h MET 61 CO 0.13 0.70 0.00 0.87 -0.40 0.00 0.00 176.91 178.21 1p68 h LYS 62 N 1.09 0.00 -0.01 0.39 1.57 -1.68 -0.98 116.57 116.95 1p68 h LYS 62 Ca 0.32 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1p68 h LYS 62 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1p68 h LYS 62 CO -0.09 0.00 -0.73 1.49 -0.57 0.00 0.00 179.45 179.55 1p68 h GLU 63 N 0.00 0.10 0.00 3.15 4.81 -1.00 0.36 114.58 122.00 1p68 h GLU 63 Ca 0.00 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 58.96 1p68 h GLU 63 Cb 0.04 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1p68 h GLU 63 CO 0.00 0.79 -1.23 0.27 -0.73 0.00 0.00 179.01 178.11 1p68 h PHE 64 N 0.07 0.00 0.05 0.92 -5.15 -1.18 -3.31 116.94 108.34 1p68 h PHE 64 Ca -0.02 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.50 1p68 h PHE 64 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.44 1p68 h PHE 64 CO 0.01 0.64 -1.27 0.37 -2.00 0.00 0.00 178.31 176.06 1p68 h GLN 65 N 0.00 0.11 -0.43 6.09 4.15 -1.36 -3.28 115.11 120.39 1p68 h GLN 65 Ca -0.13 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.13 1p68 h GLN 65 Cb 1.60 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.34 1p68 h GLN 65 CO 0.06 0.99 0.28 0.37 -1.93 0.00 0.00 178.83 178.60 1p68 h GLN 66 N 0.03 0.46 -0.92 1.69 4.15 -0.38 -1.05 115.11 119.08 1p68 h GLN 66 Ca -0.13 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.38 1p68 h GLN 66 Cb 1.90 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 29.41 1p68 h GLN 66 CO 0.14 0.30 0.59 0.28 -1.93 0.00 0.00 178.83 178.22 1p68 h VAL 67 N 0.47 0.91 0.00 2.39 2.07 -1.64 0.83 116.25 121.27 1p68 h VAL 67 Ca 0.17 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1p68 h VAL 67 Cb 0.10 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1p68 h VAL 67 CO -0.04 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.88 1p68 n LEU 68 N -4.57 0.00 0.11 2.57 4.32 -0.41 -3.18 117.00 115.85 1p68 n LEU 68 Ca 0.17 0.38 -0.06 0.00 -0.02 0.00 0.00 56.01 56.47 1p68 n LEU 68 Cb 0.37 -0.38 -0.03 0.00 -1.62 0.00 0.00 43.42 41.76 1p68 n LEU 68 CO 0.29 -0.09 0.17 -0.78 -1.22 0.00 0.00 177.39 175.76 1p68 h ASP 69 N 0.00 -0.31 -0.91 -1.43 3.58 0.75 0.95 116.42 119.05 1p68 h ASP 69 Ca 0.00 -0.03 0.21 0.00 0.42 0.00 0.00 57.03 57.64 1p68 h ASP 69 Cb 0.28 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 1p68 h ASP 69 CO 0.00 0.15 0.61 -0.08 -2.88 0.00 0.00 179.24 177.04 1p68 h GLU 70 N -1.08 0.35 0.16 0.28 4.57 -1.56 0.02 114.58 117.31 1p68 h GLU 70 Ca -0.04 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1p68 h GLU 70 Cb 0.32 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1p68 h GLU 70 CO 0.06 0.23 -0.08 1.25 -1.18 0.00 0.00 179.01 179.29 1p68 h LEU 71 N 0.36 -0.18 -1.82 1.64 5.85 -1.53 -3.27 115.31 116.36 1p68 h LEU 71 Ca 0.47 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.31 1p68 h LEU 71 Cb 1.26 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1p68 h LEU 71 CO -0.17 0.00 0.52 -1.13 -0.34 0.00 0.00 178.44 177.33 1p68 h ASN 72 N -0.48 0.00 -0.06 1.25 -0.73 0.14 0.80 115.58 116.49 1p68 h ASN 72 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1p68 h ASN 72 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1p68 h ASN 72 CO 0.04 0.00 0.00 -3.20 -0.37 0.00 0.00 177.43 173.90 1p68 n ASN 73 N -3.44 0.84 -2.18 1.15 5.15 -0.04 -4.01 115.26 112.72 1p68 n ASN 73 Ca 0.07 -1.46 -0.02 0.00 -0.60 0.00 0.00 54.58 52.57 1p68 n ASN 73 Cb 0.68 -0.04 0.05 0.00 -0.53 0.00 0.00 39.78 39.94 1p68 n ASN 73 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1p68 n HIS 74 N -0.27 -0.42 -1.47 1.20 8.25 0.27 -5.05 115.22 117.73 1p68 n HIS 74 Ca 0.17 -1.39 -0.14 0.00 -0.26 0.00 0.00 57.72 56.11 1p68 n HIS 74 Cb 0.22 0.59 -0.11 0.00 1.12 0.00 0.00 29.99 31.81 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 -0.65 0.34 0.12 2.41 7.99 -0.93 -3.01 117.00 123.26 1p68 n LEU 75 Ca -0.10 -1.45 -0.23 0.00 -0.01 0.00 0.00 56.01 54.23 1p68 n LEU 75 Cb 0.86 -1.24 -0.14 0.00 -0.11 0.00 0.00 43.42 42.79 1p68 n LEU 75 CO -0.08 -2.41 -0.15 1.56 -1.51 0.00 0.00 177.39 174.80 1p68 h GLN 76 N 11.55 0.53 -0.75 3.23 1.08 -1.70 -3.34 115.11 125.71 1p68 h GLN 76 Ca 0.01 -0.83 -0.25 0.00 -1.45 0.00 0.00 58.65 56.13 1p68 h GLN 76 Cb 1.03 0.30 -0.15 0.00 -0.05 0.00 0.00 27.48 28.61 1p68 h GLN 76 CO 1.16 1.39 0.31 0.41 -0.95 0.00 0.00 178.83 181.15 1p68 n GLY 77 N 1.56 3.84 0.07 3.46 0.00 -1.26 -5.02 105.19 107.85 1p68 n GLY 77 Ca -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.34 -1.19 0.33 -0.02 0.00 -1.25 -4.72 105.19 97.99 1p68 n GLY 78 Ca 0.43 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.00 -1.17 1.61 5.09 -1.91 -2.68 116.57 117.51 1p68 h LYS 79 Ca 0.00 0.00 0.43 0.00 0.09 0.00 0.00 60.65 61.17 1p68 h LYS 79 Cb 0.00 0.00 -0.16 0.00 0.10 0.00 0.00 32.23 32.17 1p68 h LYS 79 CO 0.00 0.00 0.70 1.25 -2.09 0.00 0.00 179.45 179.31 1p68 h HIS 80 N 0.00 0.69 0.00 0.07 2.76 -1.98 1.47 115.15 118.16 1p68 h HIS 80 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1p68 h HIS 80 Cb 0.95 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1p68 h HIS 80 CO 0.00 -0.35 0.00 2.41 -1.30 0.00 0.00 177.93 178.69 1p68 n THR 81 N -4.99 0.00 -0.35 6.26 -1.04 -1.01 -3.13 114.28 110.02 1p68 n THR 81 Ca 0.38 0.86 0.25 0.00 -2.04 0.00 0.00 64.05 63.50 1p68 n THR 81 Cb 1.37 -1.70 0.52 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.44 -0.93 12.58 2.07 -1.54 0.61 116.25 129.48 1p68 h VAL 82 Ca 0.00 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.59 1p68 h VAL 82 Cb 0.00 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.71 1p68 h VAL 82 CO 0.00 0.06 0.50 -0.74 0.02 0.00 0.00 177.57 177.42 1p68 h HIS 83 N 0.36 0.87 0.00 1.57 6.17 0.19 3.50 115.15 127.81 1p68 h HIS 83 Ca 0.65 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 61.63 1p68 h HIS 83 Cb 1.67 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 31.34 1p68 h HIS 83 CO -0.00 0.14 -0.65 1.25 0.71 0.00 0.00 177.93 179.37 1p68 h HIS 84 N 0.62 0.00 0.08 5.26 2.76 0.25 -1.37 115.15 122.75 1p68 h HIS 84 Ca 0.54 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.43 1p68 h HIS 84 Cb 0.89 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.83 1p68 h HIS 84 CO -0.06 0.65 -1.45 -0.84 -1.30 0.00 0.00 177.93 174.93 1p68 h ILE 85 N 0.00 1.23 0.05 6.26 3.07 0.96 -3.04 117.51 126.03 1p68 h ILE 85 Ca -0.01 -2.91 -0.00 0.00 1.55 0.00 0.00 64.86 63.49 1p68 h ILE 85 Cb 1.32 2.74 0.00 0.00 -0.27 0.00 0.00 36.82 40.61 1p68 h ILE 85 CO 0.08 0.81 -0.02 1.05 -1.05 0.00 0.00 178.15 179.02 1p68 h GLU 86 N 0.05 -0.06 -0.48 0.16 4.11 0.61 1.23 114.58 120.20 1p68 h GLU 86 Ca -0.20 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.37 1p68 h GLU 86 Cb 1.97 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1p68 h GLU 86 CO 0.15 0.55 0.40 1.96 0.07 0.00 0.00 179.01 182.14 1p68 h GLN 87 N -0.78 0.00 0.00 1.06 1.08 -1.40 1.05 115.11 116.12 1p68 h GLN 87 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1p68 h GLN 87 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1p68 h GLN 87 CO 0.01 0.00 -0.04 -0.91 -0.95 0.00 0.00 178.83 176.94 1p68 h ASN 88 N 0.00 0.00 -0.97 1.46 2.35 -1.40 -3.26 115.58 113.75 1p68 h ASN 88 Ca 0.23 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 56.23 1p68 h ASN 88 Cb 1.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 1p68 h ASN 88 CO -0.00 0.17 0.66 0.40 -1.65 0.00 0.00 177.43 177.00 1p68 h ILE 89 N -0.29 0.57 0.00 2.81 2.04 0.19 1.14 117.51 123.96 1p68 h ILE 89 Ca 0.00 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1p68 h ILE 89 Cb 0.04 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1p68 h ILE 89 CO 0.00 0.05 -0.19 0.11 0.00 0.00 0.00 178.15 178.12 1p68 h LYS 90 N 0.25 0.00 -0.01 2.37 6.56 0.99 -0.45 116.57 126.28 1p68 h LYS 90 Ca 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1p68 h LYS 90 Cb 1.53 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.19 1p68 h LYS 90 CO -0.14 0.19 -0.17 0.39 -2.06 0.00 0.00 179.45 177.65 1p68 n GLU 91 N -3.57 0.74 -0.02 3.15 -0.58 0.39 -3.97 120.64 116.78 1p68 n GLU 91 Ca -0.01 -0.34 -0.04 0.00 -0.42 0.00 0.00 57.16 56.35 1p68 n GLU 91 Cb 0.33 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1p68 n GLU 91 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1p68 h ILE 92 N 0.82 0.37 -0.85 -3.67 5.03 -0.52 -2.95 117.51 115.74 1p68 h ILE 92 Ca 0.00 -1.19 0.22 0.00 -0.12 0.00 0.00 64.86 63.77 1p68 h ILE 92 Cb 0.42 0.69 -0.14 0.00 -3.03 0.00 0.00 36.82 34.76 1p68 h ILE 92 CO 0.00 0.12 0.22 2.19 -0.68 0.00 0.00 178.15 180.00 1p68 h PHE 93 N -1.01 0.33 0.70 1.37 -5.15 -1.67 0.72 116.94 112.22 1p68 h PHE 93 Ca -0.01 0.05 -0.03 0.00 -0.20 0.00 0.00 57.97 57.78 1p68 h PHE 93 Cb 0.26 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 36.42 1p68 h PHE 93 CO 0.05 -0.19 -0.43 1.25 -2.00 0.00 0.00 178.31 176.99 1p68 h HIS 94 N 0.22 -1.15 0.00 6.09 2.76 -1.69 1.12 115.15 122.49 1p68 h HIS 94 Ca 0.53 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1p68 h HIS 94 Cb 1.03 0.41 0.00 0.00 1.55 0.00 0.00 27.41 30.40 1p68 h HIS 94 CO -0.27 -0.64 0.00 0.72 -1.30 0.00 0.00 177.93 176.44 1p68 n HIS 95 N -5.14 0.34 -0.03 5.26 8.25 -0.46 0.14 115.22 123.58 1p68 n HIS 95 Ca -0.13 0.17 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1p68 n HIS 95 Cb 0.44 -0.77 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.97 2.41 3.38 0.20 -3.16 115.31 117.17 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 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1p68 h LEU 96 CO 0.00 0.33 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 1p68 n GLU 97 N -3.32 0.14 0.08 1.13 1.02 0.37 -1.09 120.64 118.96 1p68 n GLU 97 Ca -0.03 0.53 0.02 0.00 -0.02 0.00 0.00 57.16 57.66 1p68 n GLU 97 Cb 0.11 -1.86 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 1p68 n GLU 97 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1p68 h GLU 98 N 0.00 0.00 0.35 3.49 4.57 -0.45 -3.18 114.58 119.36 1p68 h GLU 98 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1p68 h GLU 98 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1p68 h GLU 98 CO 0.00 0.33 -0.17 1.25 -1.18 0.00 0.00 179.01 179.24 1p68 h LEU 99 N 0.00 -0.39 -2.14 1.64 5.85 -1.07 -3.05 115.31 116.14 1p68 h LEU 99 Ca -0.09 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1p68 h LEU 99 Cb 1.46 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1p68 h LEU 99 CO 0.05 0.05 -0.00 0.58 -0.34 0.00 0.00 178.44 178.78 1p68 h VAL 100 N -0.99 0.85 -0.80 1.05 2.07 -1.70 -1.41 116.25 115.31 1p68 h VAL 100 Ca -0.05 -0.01 -0.46 0.00 0.82 0.00 0.00 66.70 67.00 1p68 h VAL 100 Cb 0.51 1.01 -0.24 0.00 -1.52 0.00 0.00 31.29 31.04 1p68 h VAL 100 CO 0.08 0.00 0.58 1.57 0.02 0.00 0.00 177.57 179.83 1p68 n HIS 101 N -4.31 2.51 0.43 1.57 -0.00 -1.20 -4.95 115.22 109.27 1p68 n HIS 101 Ca -0.03 -1.90 0.05 0.00 -0.00 0.00 0.00 57.72 55.84 1p68 n HIS 101 Cb 0.09 -0.95 0.04 0.00 -0.00 0.00 0.00 29.99 29.17 1p68 n HIS 101 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21