#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p68 n TYR 2 N 0.00 2.66 0.00 2.03 4.02 -1.26 -4.56 117.16 120.05 1p68 n TYR 2 Ca 0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 57.90 55.04 1p68 n TYR 2 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 39.34 38.22 1p68 n TYR 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1p68 n GLY 3 N 0.79 0.00 0.30 2.72 0.00 -1.24 -4.54 105.19 103.21 1p68 n GLY 3 Ca 0.32 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.07 1.61 1.63 -1.90 -0.95 116.57 116.88 1p68 h LYS 4 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1p68 h LYS 4 Cb 0.14 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1p68 h LYS 4 CO 0.00 0.00 0.37 1.25 -3.45 0.00 0.00 179.45 177.62 1p68 h LEU 5 N 0.00 0.00 -0.67 5.20 7.12 -1.94 0.16 115.31 125.19 1p68 h LEU 5 Ca 0.00 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.10 1p68 h LEU 5 Cb 0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.08 1p68 h LEU 5 CO 0.00 0.00 0.30 -0.55 -0.13 0.00 0.00 178.44 178.06 1p68 h ASN 6 N 0.00 0.36 -0.58 1.25 -1.07 -1.52 0.56 115.58 114.58 1p68 h ASN 6 Ca 0.03 0.07 0.17 0.00 0.07 0.00 0.00 56.30 56.64 1p68 h ASN 6 Cb 0.78 0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 37.02 1p68 h ASN 6 CO -0.00 0.21 0.44 -0.78 0.07 0.00 0.00 177.43 177.36 1p68 h ASP 7 N 0.52 0.00 0.72 6.14 3.58 -0.91 0.58 116.42 127.05 1p68 h ASP 7 Ca 0.33 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.55 1p68 h ASP 7 Cb 0.38 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 1p68 h ASP 7 CO -0.28 0.00 -1.41 0.25 -2.88 0.00 0.00 179.24 174.92 1p68 h LEU 8 N 0.00 0.00 -1.43 2.28 7.12 -0.28 -3.32 115.31 119.68 1p68 h LEU 8 Ca 0.28 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1p68 h LEU 8 Cb 1.15 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.25 1p68 h LEU 8 CO -0.00 0.86 0.37 -0.07 -0.13 0.00 0.00 178.44 179.47 1p68 h LEU 9 N 0.00 0.66 -1.24 2.25 3.38 0.48 -1.77 115.31 119.07 1p68 h LEU 9 Ca -0.18 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.88 1p68 h LEU 9 Cb 1.82 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.34 1p68 h LEU 9 CO 0.08 0.48 0.57 -0.33 0.09 0.00 0.00 178.44 179.33 1p68 h GLU 10 N 0.77 0.79 -0.27 1.13 4.39 -1.37 -2.22 114.58 117.80 1p68 h GLU 10 Ca 0.21 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.93 1p68 h GLU 10 Cb -0.08 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.32 1p68 h GLU 10 CO -0.04 0.52 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.65 1p68 h ASP 11 N 0.81 -0.77 0.27 1.42 5.19 -1.50 0.17 116.42 122.02 1p68 h ASP 11 Ca 0.42 0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.98 1p68 h ASP 11 Cb 0.51 0.37 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1p68 h ASP 11 CO -0.19 -0.27 -0.39 0.17 -3.12 0.00 0.00 179.24 175.45 1p68 h LEU 12 N -0.23 -1.08 -1.36 1.55 -0.00 -1.51 0.87 115.31 113.56 1p68 h LEU 12 Ca 0.15 0.10 0.19 0.00 -0.00 0.00 0.00 57.88 58.32 1p68 h LEU 12 Cb 0.46 0.38 -0.08 0.00 -0.00 0.00 0.00 40.66 41.42 1p68 h LEU 12 CO -0.40 -0.50 0.60 -0.61 -0.00 0.00 0.00 178.44 177.52 1p68 h GLN 13 N -0.72 0.53 0.00 0.17 4.15 -1.27 0.46 115.11 118.43 1p68 h GLN 13 Ca -0.01 -0.03 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 1p68 h GLN 13 Cb 0.68 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1p68 h GLN 13 CO -0.13 0.35 -0.85 0.93 -1.93 0.00 0.00 178.83 177.20 1p68 h GLU 14 N 0.54 0.05 0.00 1.69 3.07 0.36 -2.93 114.58 117.35 1p68 h GLU 14 Ca 0.49 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 1p68 h GLU 14 Cb 1.03 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1p68 h GLU 14 CO -0.23 0.86 -0.09 -0.24 -1.40 0.00 0.00 179.01 177.92 1p68 h VAL 15 N 0.02 0.69 -0.18 3.13 3.04 0.55 -0.19 116.25 123.30 1p68 h VAL 15 Ca -0.02 -0.35 -0.07 0.00 -1.01 0.00 0.00 66.70 65.25 1p68 h VAL 15 Cb 1.49 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 1p68 h VAL 15 CO 0.12 0.09 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.51 1p68 h LEU 16 N 0.00 0.30 -1.29 3.16 -0.00 -1.10 -2.54 115.31 113.84 1p68 h LEU 16 Ca -0.00 -0.08 0.37 0.00 -0.00 0.00 0.00 57.88 58.17 1p68 h LEU 16 Cb 0.21 -0.08 -0.13 0.00 -0.00 0.00 0.00 40.66 40.66 1p68 h LEU 16 CO 0.01 0.50 0.73 0.50 -0.00 0.00 0.00 178.44 180.18 1p68 h LYS 17 N 0.29 0.20 0.01 1.13 3.64 -1.12 0.44 116.57 121.15 1p68 h LYS 17 Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1p68 h LYS 17 Cb 0.49 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1p68 h LYS 17 CO 0.03 0.13 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.34 1p68 h ASN 18 N 0.20 0.07 -0.85 4.20 -0.26 -1.60 -3.34 115.58 114.01 1p68 h ASN 18 Ca 0.75 -0.86 0.18 0.00 -0.56 0.00 0.00 56.30 55.81 1p68 h ASN 18 Cb 2.12 -0.02 -0.16 0.00 -1.06 0.00 0.00 38.32 39.19 1p68 h ASN 18 CO -0.45 0.93 -0.16 0.25 -1.06 0.00 0.00 177.43 176.94 1p68 h LEU 19 N -0.78 -0.70 -0.98 1.61 6.46 -0.11 0.72 115.31 121.53 1p68 h LEU 19 Ca -0.01 0.25 0.24 0.00 -0.12 0.00 0.00 57.88 58.24 1p68 h LEU 19 Cb 0.95 0.50 -0.13 0.00 -0.73 0.00 0.00 40.66 41.25 1p68 h LEU 19 CO 0.02 -0.27 0.55 0.45 -0.62 0.00 0.00 178.44 178.57 1p68 h HIS 20 N 0.01 0.94 -0.21 1.25 3.86 -1.29 0.94 115.15 120.65 1p68 h HIS 20 Ca 0.43 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 1p68 h HIS 20 Cb 0.70 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1p68 h HIS 20 CO -0.62 0.03 0.00 1.63 0.86 0.00 0.00 177.93 179.83 1p68 n LYS 21 N -4.93 1.59 -0.46 2.45 4.76 0.24 -4.03 118.16 117.78 1p68 n LYS 21 Ca 0.26 -0.91 0.00 0.00 -2.87 0.00 0.00 58.31 54.79 1p68 n LYS 21 Cb 0.74 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 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 0.19 0.00 0.02 4.39 3.02 0.81 -4.89 115.26 118.80 1p68 n ASN 22 Ca 0.12 -1.28 -0.13 0.00 -0.03 0.00 0.00 54.58 53.25 1p68 n ASN 22 Cb 0.24 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.22 1p68 n ASN 22 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1p68 h TRP 23 N 0.00 0.24 0.00 3.10 5.08 0.57 -3.27 115.95 121.67 1p68 h TRP 23 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 58.89 59.80 1p68 h TRP 23 Cb 1.11 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 1p68 h TRP 23 CO -0.16 1.27 0.00 1.58 -1.28 0.00 0.00 178.44 179.85 1p68 n HIS 24 N -3.29 -0.64 0.00 0.12 -0.00 -1.23 -3.48 115.22 106.70 1p68 n HIS 24 Ca -0.17 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 1p68 n HIS 24 Cb 1.04 0.18 0.00 0.00 -0.00 0.00 0.00 29.99 31.21 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 -1.07 3.24 1.91 1.57 0.00 -1.26 -4.69 105.19 104.89 1p68 n GLY 25 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.03 -5.22 0.28 -0.02 0.00 -1.26 -4.55 105.19 94.39 1p68 n GLY 26 Ca 0.00 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 3.88 0.00 -0.95 1.61 3.64 -2.00 -2.72 116.57 120.03 1p68 h LYS 27 Ca 0.00 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1p68 h LYS 27 Cb 0.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 1p68 h LYS 27 CO 0.00 0.00 0.53 0.22 -2.27 0.00 0.00 179.45 177.93 1p68 h ASP 28 N 0.00 0.63 0.01 4.20 1.82 -1.95 0.88 116.42 122.01 1p68 h ASP 28 Ca 0.00 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1p68 h ASP 28 Cb 0.10 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.13 1p68 h ASP 28 CO 0.00 0.18 -0.06 -1.13 -1.61 0.00 0.00 179.24 176.61 1p68 h ASN 29 N 0.63 0.05 -0.37 2.28 -0.73 -1.72 -3.25 115.58 112.47 1p68 h ASN 29 Ca 0.57 -0.89 0.10 0.00 1.87 0.00 0.00 56.30 57.95 1p68 h ASN 29 Cb 0.95 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.51 1p68 h ASN 29 CO -0.43 0.93 0.27 0.25 -0.37 0.00 0.00 177.43 178.08 1p68 h LEU 30 N -0.83 0.02 -0.89 0.34 7.12 -1.46 -1.84 115.31 117.77 1p68 h LEU 30 Ca -0.01 0.00 0.24 0.00 0.13 0.00 0.00 57.88 58.24 1p68 h LEU 30 Cb 0.95 -0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 40.93 1p68 h LEU 30 CO 0.01 0.01 0.28 -0.74 -0.13 0.00 0.00 178.44 177.88 1p68 h HIS 31 N 0.03 0.43 0.00 1.25 2.76 0.74 1.61 115.15 121.97 1p68 h HIS 31 Ca 0.18 0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1p68 h HIS 31 Cb 0.67 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1p68 h HIS 31 CO -0.00 -0.19 -0.30 -0.44 -1.30 0.00 0.00 177.93 175.70 1p68 h ASP 32 N 0.24 0.00 0.00 3.26 5.19 -1.50 0.11 116.42 123.72 1p68 h ASP 32 Ca 0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 1p68 h ASP 32 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1p68 h ASP 32 CO -0.63 0.30 -0.13 0.58 -3.12 0.00 0.00 179.24 176.23 1p68 h VAL 33 N 0.00 0.00 -0.05 -1.35 2.07 0.17 -3.29 116.25 113.81 1p68 h VAL 33 Ca -0.00 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1p68 h VAL 33 Cb 0.71 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1p68 h VAL 33 CO 0.04 0.00 0.08 -0.78 0.02 0.00 0.00 177.57 176.93 1p68 h ASP 34 N -0.77 0.00 -0.90 0.57 3.58 0.10 0.25 116.42 119.25 1p68 h ASP 34 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1p68 h ASP 34 Cb 0.13 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 1p68 h ASP 34 CO 0.00 0.00 0.60 0.78 -2.88 0.00 0.00 179.24 177.74 1p68 h ASN 35 N 0.00 1.02 -0.04 2.28 -0.26 -1.09 1.04 115.58 118.53 1p68 h ASN 35 Ca 0.02 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1p68 h ASN 35 Cb 0.19 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1p68 h ASN 35 CO -0.00 0.73 0.02 0.45 -1.06 0.00 0.00 177.43 177.57 1p68 h HIS 36 N 1.21 0.06 0.08 1.19 3.86 -0.59 0.26 115.15 121.22 1p68 h HIS 36 Ca 0.34 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1p68 h HIS 36 Cb -0.11 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1p68 h HIS 36 CO -0.01 0.17 -0.07 1.25 0.86 0.00 0.00 177.93 180.14 1p68 h LEU 37 N -0.06 -0.17 -0.86 2.43 7.12 -0.83 -0.88 115.31 122.04 1p68 h LEU 37 Ca 0.01 0.01 0.22 0.00 0.13 0.00 0.00 57.88 58.26 1p68 h LEU 37 Cb 0.14 0.05 -0.13 0.00 -0.53 0.00 0.00 40.66 40.19 1p68 h LEU 37 CO -0.00 -0.09 0.30 1.56 -0.13 0.00 0.00 178.44 180.07 1p68 h GLN 38 N -0.14 0.29 0.00 1.25 4.20 0.10 0.90 115.11 121.72 1p68 h GLN 38 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1p68 h GLN 38 Cb 0.12 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1p68 h GLN 38 CO 0.00 0.19 -0.05 -0.97 -0.67 0.00 0.00 178.83 177.33 1p68 h ASN 39 N 0.30 0.00 0.01 1.46 -1.24 -0.30 -2.05 115.58 113.75 1p68 h ASN 39 Ca 0.54 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 57.32 1p68 h ASN 39 Cb 1.04 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.10 1p68 h ASN 39 CO -0.58 0.05 -0.90 0.58 -1.29 0.00 0.00 177.43 175.29 1p68 h VAL 40 N 0.00 1.33 -1.07 2.57 2.07 0.23 -3.24 116.25 118.14 1p68 h VAL 40 Ca -0.00 -2.20 0.29 0.00 0.82 0.00 0.00 66.70 65.61 1p68 h VAL 40 Cb 0.10 2.47 -0.10 0.00 -1.52 0.00 0.00 31.29 32.24 1p68 h VAL 40 CO 0.01 0.67 0.68 0.40 0.02 0.00 0.00 177.57 179.34 1p68 h ILE 41 N 0.22 0.47 0.00 4.57 1.08 -0.53 1.18 117.51 124.50 1p68 h ILE 41 Ca -0.11 -0.13 -0.11 0.00 -0.39 0.00 0.00 64.86 64.12 1p68 h ILE 41 Cb 1.58 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 1p68 h ILE 41 CO 0.18 0.07 -0.54 1.05 -0.69 0.00 0.00 178.15 178.22 1p68 h GLU 42 N 0.37 0.00 0.00 2.37 -0.00 -1.57 0.83 114.58 116.58 1p68 h GLU 42 Ca 0.63 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.82 1p68 h GLU 42 Cb 1.62 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.34 1p68 h GLU 42 CO -0.34 0.54 -1.05 -0.44 -0.00 0.00 0.00 179.01 177.71 1p68 h ASP 43 N 0.00 0.00 0.00 3.06 5.19 0.99 -2.82 116.42 122.83 1p68 h ASP 43 Ca -0.01 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1p68 h ASP 43 Cb 1.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 1p68 h ASP 43 CO 0.07 0.73 -0.73 0.40 -3.12 0.00 0.00 179.24 176.59 1p68 h ILE 44 N 0.00 0.86 0.00 0.35 2.04 0.62 -2.21 117.51 119.16 1p68 h ILE 44 Ca -0.09 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 63.86 1p68 h ILE 44 Cb 1.63 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1p68 h ILE 44 CO 0.08 0.29 -0.11 1.12 0.00 0.00 0.00 178.15 179.53 1p68 h HIS 45 N -1.00 0.00 0.15 1.37 2.07 0.52 0.99 115.15 119.25 1p68 h HIS 45 Ca -0.18 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.00 1p68 h HIS 45 Cb 0.97 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.95 1p68 h HIS 45 CO 0.07 0.11 -1.78 0.22 -3.07 0.00 0.00 177.93 173.48 1p68 h ASP 46 N 0.00 0.49 1.41 3.10 3.58 -1.64 -3.34 116.42 120.03 1p68 h ASP 46 Ca -0.00 -0.82 -0.07 0.00 0.42 0.00 0.00 57.03 56.55 1p68 h ASP 46 Cb 0.22 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1p68 h ASP 46 CO 0.01 1.71 -0.35 -0.26 -2.88 0.00 0.00 179.24 177.47 1p68 h PHE 47 N 0.09 0.00 -0.93 0.28 -1.00 -1.05 -3.21 116.94 111.11 1p68 h PHE 47 Ca -0.35 0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.62 1p68 h PHE 47 Cb 2.07 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 41.55 1p68 h PHE 47 CO 0.08 0.35 0.60 1.98 -1.61 0.00 0.00 178.31 179.72 1p68 h MET 48 N 0.00 0.58 0.00 1.51 4.05 0.90 0.89 114.93 122.85 1p68 h MET 48 Ca -0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1p68 h MET 48 Cb 1.16 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1p68 h MET 48 CO 0.05 0.38 0.00 1.04 0.23 0.00 0.00 176.91 178.61 1p68 n GLN 49 N -4.59 0.05 0.00 0.39 1.13 -1.21 -3.71 117.38 109.44 1p68 n GLN 49 Ca 0.20 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1p68 n GLN 49 Cb 0.60 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1p68 n GLN 49 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p68 n GLY 50 N 0.24 1.94 1.28 1.08 0.00 0.30 -4.96 105.19 105.08 1p68 n GLY 50 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.13 2.60 0.00 -0.02 0.00 -0.64 -4.58 105.19 102.42 1p68 n GLY 51 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.03 1.94 1.61 -0.02 0.00 -1.26 -4.69 105.19 102.81 1p68 n GLY 52 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1p68 n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p68 n SER 53 N 0.00 5.05 -0.07 1.61 2.88 -1.19 -3.62 113.62 118.28 1p68 n SER 53 Ca 0.00 -2.69 -0.08 0.00 -1.33 0.00 0.00 58.87 54.77 1p68 n SER 53 Cb 0.00 -0.92 -0.10 0.00 -0.75 0.00 0.00 64.21 62.45 1p68 n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p68 n GLY 54 N 0.53 -0.53 0.00 0.46 0.00 -1.26 -4.64 105.19 99.75 1p68 n GLY 54 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.34 -1.25 0.14 -0.02 0.00 -1.25 -4.83 105.19 100.31 1p68 n GLY 55 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1p68 n GLY 55 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1p68 h LYS 56 N 0.00 0.28 0.00 1.61 5.09 -1.86 -3.35 116.57 118.34 1p68 h LYS 56 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1p68 h LYS 56 Cb 0.79 0.18 0.00 0.00 0.10 0.00 0.00 32.23 33.29 1p68 h LYS 56 CO 0.00 1.23 0.00 -0.11 -2.09 0.00 0.00 179.45 178.48 1p68 n LEU 57 N -3.63 0.20 -0.09 7.07 7.94 -1.26 0.13 117.00 127.36 1p68 n LEU 57 Ca -0.29 0.59 -0.18 0.00 -1.11 0.00 0.00 56.01 55.01 1p68 n LEU 57 Cb 1.01 -0.62 -0.12 0.00 0.53 0.00 0.00 43.42 44.23 1p68 n LEU 57 CO 0.43 -0.65 -0.19 0.06 -1.11 0.00 0.00 177.39 175.93 1p68 h GLN 58 N 0.00 0.00 0.04 1.96 -0.00 -1.92 -2.89 115.11 112.31 1p68 h GLN 58 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 1p68 h GLN 58 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 1p68 h GLN 58 CO 0.00 0.97 -1.56 0.93 -0.00 0.00 0.00 178.83 179.17 1p68 h GLU 59 N -1.00 0.08 0.00 0.06 4.39 -1.64 -3.33 114.58 113.14 1p68 h GLU 59 Ca -0.21 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.19 1p68 h GLU 59 Cb 1.17 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1p68 h GLU 59 CO -0.13 0.79 -0.77 1.98 -1.16 0.00 0.00 179.01 179.73 1p68 h MET 60 N 0.02 0.00 -0.96 2.33 4.05 0.91 -3.19 114.93 118.09 1p68 h MET 60 Ca -0.24 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.34 1p68 h MET 60 Cb 1.97 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.67 1p68 h MET 60 CO 0.11 0.77 0.57 1.98 0.23 0.00 0.00 176.91 180.57 1p68 h MET 61 N 0.00 0.77 0.00 0.39 1.85 -1.58 0.50 114.93 116.86 1p68 h MET 61 Ca -0.01 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 1p68 h MET 61 Cb 1.38 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 1p68 h MET 61 CO 0.10 0.51 -0.06 -0.22 -0.40 0.00 0.00 176.91 176.84 1p68 h LYS 62 N 0.80 0.00 -0.03 0.39 1.63 -1.71 -1.76 116.57 115.88 1p68 h LYS 62 Ca 0.52 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.21 1p68 h LYS 62 Cb 0.70 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1p68 h LYS 62 CO -0.34 0.06 -0.51 1.49 -3.45 0.00 0.00 179.45 176.71 1p68 h GLU 63 N 0.00 0.08 0.00 1.90 4.81 -0.13 0.61 114.58 121.85 1p68 h GLU 63 Ca -0.00 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 1p68 h GLU 63 Cb 0.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1p68 h GLU 63 CO 0.01 0.57 -1.49 0.27 -0.73 0.00 0.00 179.01 177.65 1p68 h PHE 64 N 0.07 0.00 0.04 0.92 -5.15 -1.25 -3.32 116.94 108.24 1p68 h PHE 64 Ca -0.00 -0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 57.52 1p68 h PHE 64 Cb 0.92 -0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.07 1p68 h PHE 64 CO 0.01 1.00 -1.24 0.37 -2.00 0.00 0.00 178.31 176.45 1p68 h GLN 65 N 0.00 0.08 -0.74 6.09 4.15 -1.29 -3.30 115.11 120.09 1p68 h GLN 65 Ca -0.20 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.11 1p68 h GLN 65 Cb 1.94 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.64 1p68 h GLN 65 CO 0.10 0.96 0.49 0.37 -1.93 0.00 0.00 178.83 178.82 1p68 h GLN 66 N 0.02 0.92 -0.82 1.69 4.15 0.12 -1.97 115.11 119.22 1p68 h GLN 66 Ca -0.11 -0.06 0.12 0.00 0.77 0.00 0.00 58.65 59.38 1p68 h GLN 66 Cb 1.88 -0.21 -0.08 0.00 0.21 0.00 0.00 27.48 29.28 1p68 h GLN 66 CO 0.14 0.61 0.43 0.28 -1.93 0.00 0.00 178.83 178.36 1p68 h VAL 67 N 0.95 0.80 0.00 2.39 2.07 -1.66 0.67 116.25 121.47 1p68 h VAL 67 Ca 0.28 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1p68 h VAL 67 Cb -0.02 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1p68 h VAL 67 CO -0.07 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.82 1p68 n LEU 68 N -4.83 0.00 0.07 2.57 4.32 -0.75 -2.99 117.00 115.39 1p68 n LEU 68 Ca 0.15 0.35 -0.10 0.00 -0.02 0.00 0.00 56.01 56.40 1p68 n LEU 68 Cb 0.36 -0.35 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 1p68 n LEU 68 CO 0.23 -0.16 0.33 -0.78 -1.22 0.00 0.00 177.39 175.79 1p68 h ASP 69 N 0.00 -0.23 -0.93 -1.43 3.58 0.42 1.48 116.42 119.31 1p68 h ASP 69 Ca 0.00 -0.26 0.15 0.00 0.42 0.00 0.00 57.03 57.34 1p68 h ASP 69 Cb 0.19 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.22 1p68 h ASP 69 CO 0.00 0.31 0.59 -0.08 -2.88 0.00 0.00 179.24 177.18 1p68 h GLU 70 N -0.94 0.73 0.00 0.28 4.57 -1.50 0.12 114.58 117.84 1p68 h GLU 70 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1p68 h GLU 70 Cb 0.48 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1p68 h GLU 70 CO 0.05 0.48 0.00 -0.11 -1.18 0.00 0.00 179.01 178.25 1p68 n LEU 71 N -4.60 0.19 -0.11 1.64 7.94 -1.17 -3.24 117.00 117.65 1p68 n LEU 71 Ca 0.19 0.58 0.27 0.00 -1.11 0.00 0.00 56.01 55.94 1p68 n LEU 71 Cb 0.47 -0.46 0.70 0.00 0.53 0.00 0.00 43.42 44.66 1p68 n LEU 71 CO 0.28 -0.46 1.24 -0.55 -1.11 0.00 0.00 177.39 176.80 1p68 h ASN 72 N 0.00 0.00 -0.40 1.96 -1.07 0.21 1.24 115.58 117.52 1p68 h ASN 72 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1p68 h ASN 72 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1p68 h ASN 72 CO 0.00 0.00 0.00 -3.20 0.07 0.00 0.00 177.43 174.30 1p68 n ASN 73 N -3.84 2.87 -0.80 6.14 2.85 0.40 -4.04 115.26 118.84 1p68 n ASN 73 Ca 0.16 -2.20 -0.01 0.00 -0.11 0.00 0.00 54.58 52.42 1p68 n ASN 73 Cb 0.98 -0.41 -0.01 0.00 1.24 0.00 0.00 39.78 41.58 1p68 n ASN 73 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1p68 n HIS 74 N 0.63 0.00 -1.52 1.20 8.25 0.42 -5.00 115.22 119.20 1p68 n HIS 74 Ca 0.15 -0.22 -0.28 0.00 -0.26 0.00 0.00 57.72 57.11 1p68 n HIS 74 Cb 0.53 0.18 -0.14 0.00 1.12 0.00 0.00 29.99 31.68 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 0.09 0.39 0.43 2.41 7.99 -0.70 -3.46 117.00 124.14 1p68 n LEU 75 Ca -0.06 -0.52 -0.17 0.00 -0.01 0.00 0.00 56.01 55.24 1p68 n LEU 75 Cb 0.71 -1.06 -0.08 0.00 -0.11 0.00 0.00 43.42 42.87 1p68 n LEU 75 CO -0.04 -1.50 0.53 -0.61 -1.51 0.00 0.00 177.39 174.26 1p68 h GLN 76 N 13.21 -1.07 -0.00 3.23 5.75 -1.74 -3.43 115.11 131.06 1p68 h GLN 76 Ca -0.05 0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.39 1p68 h GLN 76 Cb 1.18 0.24 -0.14 0.00 1.07 0.00 0.00 27.48 29.83 1p68 h GLN 76 CO 1.35 -0.72 -0.31 0.41 -2.65 0.00 0.00 178.83 176.91 1p68 n GLY 77 N -1.56 0.79 2.67 2.39 0.00 -1.26 -4.98 105.19 103.24 1p68 n GLY 77 Ca -0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.26 1.52 0.48 -0.02 0.00 -1.26 -4.91 105.19 100.73 1p68 n GLY 78 Ca -0.25 -1.21 0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 2.92 0.00 0.00 1.61 2.10 -1.88 1.00 116.57 122.31 1p68 h LYS 79 Ca -0.11 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.48 1p68 h LYS 79 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1p68 h LYS 79 CO 0.45 0.00 -0.26 1.12 -2.00 0.00 0.00 179.45 178.76 1p68 h HIS 80 N 0.00 0.00 0.00 0.07 2.07 -1.98 -0.71 115.15 114.60 1p68 h HIS 80 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 1p68 h HIS 80 Cb 1.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.90 1p68 h HIS 80 CO 0.00 0.26 0.00 2.41 -3.07 0.00 0.00 177.93 177.53 1p68 n THR 81 N -3.78 0.00 -0.30 6.12 -1.04 0.35 -2.58 114.28 113.04 1p68 n THR 81 Ca -0.01 0.84 0.12 0.00 -2.04 0.00 0.00 64.05 62.96 1p68 n THR 81 Cb 0.36 -1.64 0.29 0.00 -1.82 0.00 0.00 70.33 67.52 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 0.49 -0.92 12.58 2.07 -1.64 0.45 116.25 129.28 1p68 h VAL 82 Ca 0.00 -0.14 0.23 0.00 0.82 0.00 0.00 66.70 67.61 1p68 h VAL 82 Cb 0.00 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 29.70 1p68 h VAL 82 CO 0.00 0.07 0.44 -0.74 0.02 0.00 0.00 177.57 177.36 1p68 h HIS 83 N 0.40 0.73 0.00 1.57 6.17 -1.21 3.56 115.15 126.38 1p68 h HIS 83 Ca 0.54 0.04 -0.15 0.00 0.71 0.00 0.00 60.37 61.52 1p68 h HIS 83 Cb 1.01 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.74 1p68 h HIS 83 CO -0.15 -0.03 -0.69 0.45 0.71 0.00 0.00 177.93 178.22 1p68 h HIS 84 N 0.43 0.00 0.00 5.26 3.86 0.10 -2.00 115.15 122.80 1p68 h HIS 84 Ca 0.58 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.54 1p68 h HIS 84 Cb 1.12 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 1p68 h HIS 84 CO -0.11 0.69 -1.38 -0.84 0.86 0.00 0.00 177.93 177.16 1p68 h ILE 85 N 0.00 1.25 0.02 2.45 3.07 0.22 -3.00 117.51 121.51 1p68 h ILE 85 Ca -0.01 -3.04 -0.09 0.00 1.55 0.00 0.00 64.86 63.28 1p68 h ILE 85 Cb 1.36 2.62 0.01 0.00 -0.27 0.00 0.00 36.82 40.53 1p68 h ILE 85 CO 0.09 0.71 -0.36 1.05 -1.05 0.00 0.00 178.15 178.59 1p68 h GLU 86 N 0.00 0.21 0.00 0.16 4.11 0.62 0.95 114.58 120.63 1p68 h GLU 86 Ca -0.16 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 1p68 h GLU 86 Cb 1.90 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 1p68 h GLU 86 CO 0.10 1.00 -0.03 1.96 0.07 0.00 0.00 179.01 182.12 1p68 h GLN 87 N -0.46 0.00 0.00 1.06 1.08 -1.51 1.24 115.11 116.52 1p68 h GLN 87 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1p68 h GLN 87 Cb 1.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1p68 h GLN 87 CO 0.07 0.03 -0.19 -0.91 -0.95 0.00 0.00 178.83 176.87 1p68 h ASN 88 N 0.00 0.00 -0.18 1.46 2.35 -1.45 -2.98 115.58 114.78 1p68 h ASN 88 Ca -0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1p68 h ASN 88 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1p68 h ASN 88 CO 0.00 0.67 0.09 0.40 -1.65 0.00 0.00 177.43 176.94 1p68 h ILE 89 N -1.00 1.12 0.00 2.81 2.04 0.11 0.40 117.51 123.00 1p68 h ILE 89 Ca -0.02 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1p68 h ILE 89 Cb 0.31 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1p68 h ILE 89 CO -0.01 0.12 -0.07 0.11 0.00 0.00 0.00 178.15 178.29 1p68 h LYS 90 N 0.16 0.00 -0.01 2.37 1.79 0.14 0.33 116.57 121.35 1p68 h LYS 90 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1p68 h LYS 90 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1p68 h LYS 90 CO -0.01 0.07 -0.07 -1.91 -1.08 0.00 0.00 179.45 176.46 1p68 n GLU 91 N -4.22 1.49 0.04 3.15 2.13 -0.71 -3.89 120.64 118.63 1p68 n GLU 91 Ca -0.03 -0.89 -0.20 0.00 0.66 0.00 0.00 57.16 56.71 1p68 n GLU 91 Cb 0.15 -1.48 -0.14 0.00 0.27 0.00 0.00 31.44 30.25 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 2.17 1.47 -0.35 6.31 5.03 0.38 -3.16 117.51 129.37 1p68 h ILE 92 Ca 0.00 -2.40 0.10 0.00 -0.12 0.00 0.00 64.86 62.44 1p68 h ILE 92 Cb 0.52 3.00 -0.01 0.00 -3.03 0.00 0.00 36.82 37.30 1p68 h ILE 92 CO 0.00 0.69 0.32 2.19 -0.68 0.00 0.00 178.15 180.67 1p68 h PHE 93 N -0.24 0.00 0.86 1.37 -0.00 -1.64 -0.33 116.94 116.96 1p68 h PHE 93 Ca -0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.80 1p68 h PHE 93 Cb 1.58 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.53 1p68 h PHE 93 CO 0.18 0.00 -0.41 1.25 -0.00 0.00 0.00 178.31 179.32 1p68 h HIS 94 N 0.00 -1.07 0.00 6.09 2.76 -1.73 1.30 115.15 122.49 1p68 h HIS 94 Ca 0.16 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1p68 h HIS 94 Cb 0.81 0.36 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1p68 h HIS 94 CO 0.00 -0.67 0.00 0.72 -1.30 0.00 0.00 177.93 176.68 1p68 n HIS 95 N -5.55 0.17 -0.08 5.26 8.25 -0.80 -1.51 115.22 120.97 1p68 n HIS 95 Ca -0.15 0.07 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 1p68 n HIS 95 Cb 0.46 -0.62 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 1p68 n HIS 95 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p68 n LEU 96 N -1.66 1.82 0.02 2.41 4.77 -0.20 -3.86 117.00 120.30 1p68 n LEU 96 Ca 0.02 0.58 0.05 0.00 -0.03 0.00 0.00 56.01 56.63 1p68 n LEU 96 Cb 0.14 -0.90 0.21 0.00 -2.33 0.00 0.00 43.42 40.54 1p68 n LEU 96 CO 0.11 -0.25 0.65 -0.62 -1.33 0.00 0.00 177.39 175.95 1p68 n GLU 97 N -4.56 0.02 0.07 3.23 1.02 0.44 -1.46 120.64 119.40 1p68 n GLU 97 Ca -0.15 0.39 -0.04 0.00 -0.02 0.00 0.00 57.16 57.35 1p68 n GLU 97 Cb 0.39 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1p68 n GLU 97 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1p68 h GLU 98 N 0.00 0.00 0.32 3.49 4.11 -1.41 -2.73 114.58 118.36 1p68 h GLU 98 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1p68 h GLU 98 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1p68 h GLU 98 CO 0.00 0.73 -0.15 -0.07 0.07 0.00 0.00 179.01 179.58 1p68 h LEU 99 N 0.00 -0.37 -2.33 3.06 3.38 -1.36 0.93 115.31 118.62 1p68 h LEU 99 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1p68 h LEU 99 Cb 1.66 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 1p68 h LEU 99 CO 0.10 -0.12 0.02 0.58 0.09 0.00 0.00 178.44 179.10 1p68 h VAL 100 N -0.71 0.65 0.10 1.22 2.07 -1.72 -1.69 116.25 116.17 1p68 h VAL 100 Ca -0.04 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 1p68 h VAL 100 Cb 0.33 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1p68 h VAL 100 CO 0.07 0.00 -1.57 -0.74 0.02 0.00 0.00 177.57 175.35 1p68 h HIS 101 N 0.00 0.38 -0.03 1.57 -0.00 -1.50 -3.50 115.15 112.07 1p68 h HIS 101 Ca 0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 1p68 h HIS 101 Cb 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1p68 h HIS 101 CO 0.00 1.35 0.00 -2.13 -0.00 0.00 0.00 177.93 177.15