#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jua n TYR 2 N 0.00 0.00 0.00 1.12 0.18 -1.26 -4.97 117.16 112.22 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2jua n TYR 2 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jua n GLY 3 N -0.16 1.02 0.39 -7.48 0.00 -1.26 -4.99 105.19 92.70 2jua n GLY 3 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2jua n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jua h LYS 4 N 0.00 0.51 -0.85 1.61 1.57 -2.02 -1.92 116.57 115.47 2jua h LYS 4 Ca 0.00 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2jua h LYS 4 Cb 0.00 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.09 2jua h LYS 4 CO 0.00 0.34 -0.47 1.28 -0.57 0.00 0.00 179.45 180.03 2jua n LEU 5 N -4.60 -0.83 -0.27 2.94 7.99 -1.26 0.29 117.00 121.26 2jua n LEU 5 Ca 0.21 1.51 0.21 0.00 -0.01 0.00 0.00 56.01 57.93 2jua n LEU 5 Cb 0.68 -0.22 0.39 0.00 -0.11 0.00 0.00 43.42 44.16 2jua n LEU 5 CO 0.27 -1.25 0.78 -3.20 -1.51 0.00 0.00 177.39 172.48 2jua n ASN 6 N -5.10 0.14 -0.23 -1.43 2.85 -0.72 0.44 115.26 111.21 2jua n ASN 6 Ca 0.03 1.36 -0.07 0.00 -0.11 0.00 0.00 54.58 55.79 2jua n ASN 6 Cb 0.25 -0.60 0.04 0.00 1.24 0.00 0.00 39.78 40.70 2jua n ASN 6 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jua h ASP 7 N 0.00 0.93 -0.24 1.20 3.32 0.41 1.21 116.42 123.26 2jua h ASP 7 Ca 0.62 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.38 2jua h ASP 7 Cb 1.52 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 2jua h ASP 7 CO -0.68 0.88 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.46 2jua h LEU 8 N 0.94 0.58 0.42 1.55 -0.00 0.98 0.22 115.31 119.99 2jua h LEU 8 Ca 0.21 -0.45 -0.02 0.00 -0.00 0.00 0.00 57.88 57.62 2jua h LEU 8 Cb 0.27 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2jua h LEU 8 CO -0.01 0.91 -0.20 0.25 -0.00 0.00 0.00 178.44 179.39 2jua h LEU 9 N 0.26 -0.47 -1.58 1.67 6.46 0.13 0.55 115.31 122.32 2jua h LEU 9 Ca 0.04 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 57.97 2jua h LEU 9 Cb 0.73 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.74 2jua h LEU 9 CO 0.05 -0.25 0.50 -0.33 -0.62 0.00 0.00 178.44 177.79 2jua h GLU 10 N -0.74 0.40 0.00 1.25 5.08 0.14 0.21 114.58 120.92 2jua h GLU 10 Ca -0.06 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2jua h GLU 10 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2jua h GLU 10 CO 0.09 0.27 -0.65 0.22 -1.00 0.00 0.00 179.01 177.94 2jua h ASP 11 N 0.42 0.00 0.04 1.42 1.82 -0.88 -2.82 116.42 116.41 2jua h ASP 11 Ca 0.36 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2jua h ASP 11 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2jua h ASP 11 CO -0.12 0.65 -0.02 0.25 -1.61 0.00 0.00 179.24 178.40 2jua h LEU 12 N 0.00 -0.04 -2.46 2.28 5.85 0.30 -3.04 115.31 118.20 2jua h LEU 12 Ca -0.01 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.19 2jua h LEU 12 Cb 1.43 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 2jua h LEU 12 CO 0.08 0.70 0.11 0.06 -0.34 0.00 0.00 178.44 179.05 2jua h GLN 13 N -0.96 0.00 0.45 1.25 3.07 -1.01 -2.54 115.11 115.37 2jua h GLN 13 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 2jua h GLN 13 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2jua h GLN 13 CO 0.01 0.00 -0.22 0.93 0.09 0.00 0.00 178.83 179.64 2jua h GLU 14 N 0.00 -0.58 -1.20 0.06 5.08 -1.51 -0.80 114.58 115.63 2jua h GLU 14 Ca 0.03 0.04 0.37 0.00 -1.00 0.00 0.00 59.36 58.80 2jua h GLU 14 Cb 0.25 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.51 2jua h GLU 14 CO -0.00 -0.39 0.77 -0.39 -1.00 0.00 0.00 179.01 178.00 2jua h VAL 15 N -0.91 0.27 -0.01 3.13 -1.51 -1.34 4.46 116.25 120.33 2jua h VAL 15 Ca -0.06 -0.07 -0.09 0.00 -1.23 0.00 0.00 66.70 65.25 2jua h VAL 15 Cb 0.46 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.66 2jua h VAL 15 CO 0.10 0.04 -0.41 0.25 -1.23 0.00 0.00 177.57 176.31 2jua h LEU 16 N 0.20 0.02 -0.00 4.19 5.85 -1.26 -2.57 115.31 121.73 2jua h LEU 16 Ca 0.74 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.41 2jua h LEU 16 Cb 2.16 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.19 2jua h LEU 16 CO -0.39 0.43 -0.17 0.50 -0.34 0.00 0.00 178.44 178.47 2jua h LYS 17 N 0.01 0.12 -0.90 1.25 3.64 1.01 -2.55 116.57 119.14 2jua h LYS 17 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2jua h LYS 17 Cb 0.74 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2jua h LYS 17 CO 0.05 0.88 0.00 1.58 -2.27 0.00 0.00 179.45 179.69 2jua n HIS 18 N -4.57 0.00 0.00 1.91 -0.00 0.46 -3.36 115.22 109.66 2jua n HIS 18 Ca -0.10 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.00 2jua n HIS 18 Cb 0.47 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 2jua n HIS 18 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2jua n VAL 19 N 0.18 0.00 -0.14 3.57 0.31 -0.98 -4.51 118.33 116.76 2jua n VAL 19 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 2jua n VAL 19 Cb 0.25 -1.00 0.57 0.00 -0.91 0.00 0.00 33.84 32.75 2jua n VAL 19 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2jua h ASN 20 N 0.00 0.26 0.79 4.52 -0.26 -1.46 0.19 115.58 119.62 2jua h ASN 20 Ca 0.00 0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 55.57 2jua h ASN 20 Cb 0.79 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.00 2jua h ASN 20 CO 0.00 0.13 -0.87 1.56 -1.06 0.00 0.00 177.43 177.18 2jua h GLN 21 N 0.27 0.05 -0.74 0.81 1.08 -1.85 -3.24 115.11 111.49 2jua h GLN 21 Ca 0.37 -0.06 -0.47 0.00 -1.45 0.00 0.00 58.65 57.03 2jua h GLN 21 Cb 1.04 0.02 -0.27 0.00 -0.05 0.00 0.00 27.48 28.21 2jua h GLN 21 CO -0.09 0.89 0.15 0.72 -0.95 0.00 0.00 178.83 179.55 2jua n HIS 22 N -3.55 2.45 -2.95 2.96 8.25 0.47 -5.00 115.22 117.84 2jua n HIS 22 Ca -0.01 -2.24 -0.40 0.00 -0.26 0.00 0.00 57.72 54.81 2jua n HIS 22 Cb 0.82 -0.83 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2jua n HIS 22 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2jua s TRP 23 N -3.52 3.76 -0.16 4.41 -0.11 -0.11 -4.56 118.94 118.66 2jua s TRP 23 Ca 0.54 1.53 -0.15 0.00 1.22 0.00 0.00 56.10 59.24 2jua s TRP 23 Cb 0.45 -2.84 0.04 0.00 -1.50 0.00 0.00 33.47 29.62 2jua s TRP 23 CO 0.02 0.29 0.43 -0.65 -4.62 0.00 0.00 176.95 172.43 2jua s GLN 24 N -0.17 0.52 0.00 5.86 -0.21 -1.26 -4.88 119.66 119.52 2jua s GLN 24 Ca 0.39 0.57 0.00 0.00 0.02 0.00 0.00 55.36 56.34 2jua s GLN 24 Cb -0.21 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.05 2jua s GLN 24 CO 0.24 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 2jua n GLY 25 N 2.76 1.60 0.00 3.09 0.00 -1.26 -4.54 105.19 106.83 2jua n GLY 25 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2jua n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 26 N -0.43 0.03 0.00 -0.02 0.00 -1.26 -4.77 105.19 98.74 2jua n GLY 26 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2jua n GLY 26 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jua n GLN 27 N 0.00 0.00 0.10 1.61 7.27 -1.26 0.15 117.38 125.25 2jua n GLN 27 Ca 0.00 0.12 0.05 0.00 0.07 0.00 0.00 57.00 57.24 2jua n GLN 27 Cb 0.00 -1.65 -0.00 0.00 2.41 0.00 0.00 30.24 31.00 2jua n GLN 27 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2jua h LYS 28 N 0.00 0.00 -0.13 3.69 2.10 -2.00 -3.33 116.57 116.90 2jua h LYS 28 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 2jua h LYS 28 Cb 0.30 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.64 2jua h LYS 28 CO 0.00 0.21 -0.68 -0.91 -2.00 0.00 0.00 179.45 176.07 2jua h ASN 29 N 0.00 0.82 -0.75 7.07 4.21 0.11 -3.19 115.58 123.85 2jua h ASN 29 Ca -0.06 -0.64 0.26 0.00 1.21 0.00 0.00 56.30 57.07 2jua h ASN 29 Cb 1.29 -0.24 -0.14 0.00 -1.12 0.00 0.00 38.32 38.11 2jua h ASN 29 CO 0.03 1.33 0.21 0.80 -1.29 0.00 0.00 177.43 178.51 2jua n MET 30 N -4.05 -0.05 -0.01 0.81 0.00 -1.24 0.15 117.12 112.72 2jua n MET 30 Ca -0.08 1.08 -0.16 0.00 -0.00 0.00 0.00 57.70 58.54 2jua n MET 30 Cb 0.70 -1.82 -0.12 0.00 0.00 0.00 0.00 33.22 31.97 2jua n MET 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2jua h ASN 31 N 0.00 0.31 -0.44 6.12 -0.26 -1.77 0.43 115.58 119.97 2jua h ASN 31 Ca 0.54 -0.83 -0.04 0.00 -0.56 0.00 0.00 56.30 55.42 2jua h ASN 31 Cb 1.31 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.45 2jua h ASN 31 CO -0.64 1.10 0.16 0.11 -1.06 0.00 0.00 177.43 177.10 2jua h LYS 32 N -0.44 0.73 0.02 0.81 1.79 0.11 -2.51 116.57 117.08 2jua h LYS 32 Ca -0.06 -0.12 -0.23 0.00 -2.18 0.00 0.00 60.65 58.06 2jua h LYS 32 Cb 1.18 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.68 2jua h LYS 32 CO 0.08 0.63 -1.14 -0.39 -1.08 0.00 0.00 179.45 177.55 2jua h VAL 33 N 0.72 1.56 -0.27 0.50 -1.51 0.14 -3.24 116.25 114.14 2jua h VAL 33 Ca 0.17 -3.28 0.05 0.00 -1.23 0.00 0.00 66.70 62.41 2jua h VAL 33 Cb 0.20 2.80 -0.05 0.00 -2.13 0.00 0.00 31.29 32.11 2jua h VAL 33 CO -0.01 0.90 -0.04 -0.78 -1.23 0.00 0.00 177.57 176.41 2jua h ASP 34 N 0.01 -0.20 0.02 4.19 3.58 -0.45 -0.35 116.42 123.23 2jua h ASP 34 Ca -0.07 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 2jua h ASP 34 Cb 1.83 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 43.01 2jua h ASP 34 CO 0.13 -0.06 -0.13 -0.74 -2.88 0.00 0.00 179.24 175.56 2jua h HIS 35 N 0.03 0.23 -0.12 0.28 2.76 -1.63 0.11 115.15 116.81 2jua h HIS 35 Ca 0.13 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2jua h HIS 35 Cb 0.19 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2jua h HIS 35 CO -0.24 0.35 0.08 0.45 -1.30 0.00 0.00 177.93 177.27 2jua h HIS 36 N 0.22 0.15 0.06 5.26 3.86 -1.12 -2.62 115.15 120.96 2jua h HIS 36 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2jua h HIS 36 Cb 0.36 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2jua h HIS 36 CO 0.01 0.10 -0.03 -0.07 0.86 0.00 0.00 177.93 178.79 2jua h LEU 37 N 0.16 -0.07 -1.44 2.43 3.38 -1.05 -3.15 115.31 115.56 2jua h LEU 37 Ca 0.04 -0.27 0.44 0.00 0.09 0.00 0.00 57.88 58.19 2jua h LEU 37 Cb -0.02 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2jua h LEU 37 CO -0.01 0.54 1.01 1.67 0.09 0.00 0.00 178.44 181.74 2jua n GLN 38 N -4.80 -0.01 0.07 1.13 7.27 0.34 0.44 117.38 121.83 2jua n GLN 38 Ca -0.04 0.93 -0.16 0.00 0.07 0.00 0.00 57.00 57.80 2jua n GLN 38 Cb 0.16 -2.03 -0.08 0.00 2.41 0.00 0.00 30.24 30.70 2jua n GLN 38 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2jua h ASN 39 N 0.00 0.64 0.22 1.69 4.21 -1.50 -3.26 115.58 117.58 2jua h ASN 39 Ca 0.75 -0.54 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 2jua h ASN 39 Cb 2.82 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 39.82 2jua h ASN 39 CO -0.14 1.35 -0.11 0.58 -1.29 0.00 0.00 177.43 177.82 2jua h VAL 40 N 0.25 0.61 -1.05 2.81 2.07 0.93 -3.02 116.25 118.85 2jua h VAL 40 Ca -0.11 -0.98 0.38 0.00 0.82 0.00 0.00 66.70 66.80 2jua h VAL 40 Cb 1.69 1.02 -0.12 0.00 -1.52 0.00 0.00 31.29 32.35 2jua h VAL 40 CO 0.19 0.16 0.66 -0.38 0.02 0.00 0.00 177.57 178.21 2jua n ILE 41 N -4.98 -0.23 0.09 4.57 -0.00 0.22 0.39 119.36 119.42 2jua n ILE 41 Ca -0.07 1.49 -0.06 0.00 -0.00 0.00 0.00 62.75 64.10 2jua n ILE 41 Cb 0.24 -2.43 -0.01 0.00 -0.00 0.00 0.00 39.64 37.45 2jua n ILE 41 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 2jua h GLU 42 N 0.00 0.06 -0.42 0.38 4.57 -1.59 -3.21 114.58 114.37 2jua h GLU 42 Ca 0.70 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.81 2jua h GLU 42 Cb 2.20 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.79 2jua h GLU 42 CO -0.42 0.88 0.24 0.22 -1.18 0.00 0.00 179.01 178.76 2jua h ASP 43 N 0.03 0.52 0.57 1.04 1.82 0.74 -1.72 116.42 119.41 2jua h ASP 43 Ca -0.02 -0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 2jua h ASP 43 Cb 1.51 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.39 2jua h ASP 43 CO 0.12 0.43 -0.31 0.40 -1.61 0.00 0.00 179.24 178.28 2jua h ILE 44 N 0.55 0.37 -0.55 2.25 5.03 -1.52 -0.69 117.51 122.96 2jua h ILE 44 Ca 0.15 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.05 2jua h ILE 44 Cb 0.02 0.37 -0.02 0.00 -3.03 0.00 0.00 36.82 34.16 2jua h ILE 44 CO -0.03 0.00 0.50 -0.74 -0.68 0.00 0.00 178.15 177.20 2jua h HIS 45 N -0.81 0.00 -0.00 1.37 2.76 -1.54 1.60 115.15 118.52 2jua h HIS 45 Ca -0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2jua h HIS 45 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2jua h HIS 45 CO -0.06 0.00 -0.11 -3.47 -1.30 0.00 0.00 177.93 172.99 2jua n ASP 46 N -3.93 0.58 0.09 3.26 2.03 -0.38 -3.45 116.55 114.76 2jua n ASP 46 Ca 0.11 -0.70 -0.04 0.00 0.52 0.00 0.00 54.79 54.67 2jua n ASP 46 Cb 0.72 -0.04 -0.04 0.00 -0.72 0.00 0.00 41.12 41.03 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jua h PHE 47 N 0.74 0.00 -0.01 -0.67 3.57 0.35 1.69 116.94 122.61 2jua h PHE 47 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 2jua h PHE 47 Cb 0.36 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2jua h PHE 47 CO 0.00 0.83 -0.77 0.00 -2.23 0.00 0.00 178.31 176.14 2jua h MET 48 N 0.00 0.10 0.00 1.11 -0.00 -1.58 -3.20 114.93 111.37 2jua h MET 48 Ca -0.01 -0.10 -0.31 0.00 -0.00 0.00 0.00 59.70 59.29 2jua h MET 48 Cb 1.59 0.03 -0.06 0.00 -0.00 0.00 0.00 31.60 33.16 2jua h MET 48 CO 0.11 0.82 -2.16 0.00 -0.00 0.00 0.00 176.91 175.67 2jua n GLN 49 N -3.69 0.76 0.00 -0.10 10.64 -1.21 -4.23 117.38 119.56 2jua n GLN 49 Ca -0.02 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2jua n GLN 49 Cb 0.74 -1.42 0.00 0.00 -0.86 0.00 0.00 30.24 28.70 2jua n GLN 49 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jua n GLY 50 N 2.36 0.00 1.94 2.61 0.00 0.57 -4.71 105.19 107.97 2jua n GLY 50 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2jua n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 51 N -0.87 2.26 0.00 -0.02 0.00 -1.25 -3.83 105.19 101.49 2jua n GLY 51 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2jua n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 52 N 0.00 0.13 2.34 -0.02 0.00 -1.21 -4.92 105.19 101.51 2jua n GLY 52 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jua n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jua n SER 53 N 0.00 -0.17 0.03 1.61 7.64 -1.25 -4.55 113.62 116.93 2jua n SER 53 Ca 0.00 -0.03 0.01 0.00 1.01 0.00 0.00 58.87 59.86 2jua n SER 53 Cb 0.00 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 62.71 2jua n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jua n GLY 54 N 4.14 -0.27 0.08 0.23 0.00 -1.26 0.19 105.19 108.31 2jua n GLY 54 Ca 0.45 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 2jua n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jua h GLY 55 N 0.00 0.08 2.00 -0.02 0.00 -1.99 -2.49 103.07 100.65 2jua h GLY 55 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2jua h GLY 55 CO 0.00 0.18 -0.31 0.50 0.00 0.00 0.00 176.54 176.91 2jua h LYS 56 N 0.02 0.00 0.00 4.80 6.56 0.19 -3.04 116.57 125.09 2jua h LYS 56 Ca -0.14 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 2jua h LYS 56 Cb 1.90 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.56 2jua h LYS 56 CO 0.13 0.31 -0.16 1.25 -2.06 0.00 0.00 179.45 178.92 2jua h LEU 57 N 0.00 0.00 0.00 2.94 6.46 -1.54 -3.17 115.31 120.00 2jua h LEU 57 Ca -0.00 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2jua h LEU 57 Cb 0.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2jua h LEU 57 CO 0.04 0.86 0.17 0.00 -0.62 0.00 0.00 178.44 178.89 2jua n GLN 58 N -4.65 0.00 0.01 1.25 3.00 -0.94 -1.15 117.38 114.89 2jua n GLN 58 Ca -0.09 0.24 -0.02 0.00 -0.01 0.00 0.00 57.00 57.12 2jua n GLN 58 Cb 0.32 -1.67 -0.01 0.00 0.00 0.00 0.00 30.24 28.88 2jua n GLN 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2jua h GLU 59 N 0.00 -0.14 0.00 -1.09 4.81 -1.50 -3.23 114.58 113.44 2jua h GLU 59 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2jua h GLU 59 Cb 0.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2jua h GLU 59 CO 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 179.01 178.19 2jua n MET 60 N -4.85 0.14 0.10 1.92 0.00 -0.30 -2.68 117.12 111.44 2jua n MET 60 Ca -0.02 0.49 -0.12 0.00 0.00 0.00 0.00 57.70 58.05 2jua n MET 60 Cb 0.06 -1.83 -0.05 0.00 0.00 0.00 0.00 33.22 31.39 2jua n MET 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2jua h MET 61 N 0.00 -0.41 -0.79 3.17 1.85 -1.34 1.43 114.93 118.84 2jua h MET 61 Ca 0.00 0.03 0.18 0.00 -0.61 0.00 0.00 59.70 59.30 2jua h MET 61 Cb 0.19 0.09 -0.12 0.00 0.43 0.00 0.00 31.60 32.20 2jua h MET 61 CO 0.00 -0.27 0.21 0.87 -0.40 0.00 0.00 176.91 177.32 2jua h LYS 62 N -0.43 0.27 0.36 0.39 1.79 -1.62 0.45 116.57 117.79 2jua h LYS 62 Ca 0.04 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2jua h LYS 62 Cb 0.46 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2jua h LYS 62 CO -0.15 0.18 -0.17 1.49 -1.08 0.00 0.00 179.45 179.71 2jua h GLU 63 N 0.27 -0.47 -0.82 3.15 4.57 -1.34 -0.73 114.58 119.22 2jua h GLU 63 Ca 0.46 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.86 2jua h GLU 63 Cb 0.83 0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 29.38 2jua h GLU 63 CO -0.55 -0.19 -0.06 0.35 -1.18 0.00 0.00 179.01 177.39 2jua h PHE 64 N -1.02 -0.17 0.00 0.92 3.04 0.27 1.08 116.94 121.06 2jua h PHE 64 Ca -0.05 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2jua h PHE 64 Cb 0.50 0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.21 2jua h PHE 64 CO 0.03 -0.31 0.00 0.37 -2.02 0.00 0.00 178.31 176.38 2jua h GLN 65 N 0.06 0.00 0.00 1.11 5.75 -0.15 -2.39 115.11 119.48 2jua h GLN 65 Ca 0.44 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.81 2jua h GLN 65 Cb 0.77 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 2jua h GLN 65 CO -0.77 0.00 -0.61 1.96 -2.65 0.00 0.00 178.83 176.77 2jua h GLN 66 N 0.00 0.00 0.06 1.69 1.08 0.28 -3.04 115.11 115.18 2jua h GLN 66 Ca 0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 2jua h GLN 66 Cb 0.63 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 2jua h GLN 66 CO 0.00 0.61 -1.69 0.28 -0.95 0.00 0.00 178.83 177.08 2jua h VAL 67 N 0.00 0.92 -0.64 -0.54 2.07 -1.21 -3.10 116.25 113.76 2jua h VAL 67 Ca -0.01 -2.68 0.10 0.00 0.82 0.00 0.00 66.70 64.93 2jua h VAL 67 Cb 1.20 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 33.45 2jua h VAL 67 CO 0.08 0.70 0.26 0.25 0.02 0.00 0.00 177.57 178.88 2jua h LEU 68 N 0.03 0.28 -0.36 2.57 7.12 -1.37 0.72 115.31 124.31 2jua h LEU 68 Ca -0.29 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.79 2jua h LEU 68 Cb 2.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.17 2jua h LEU 68 CO 0.11 0.16 -0.21 -0.67 -0.13 0.00 0.00 178.44 177.70 2jua n ASP 69 N -4.96 0.77 -0.07 1.25 -0.08 -1.16 -3.44 116.55 108.86 2jua n ASP 69 Ca 0.09 -0.71 -0.09 0.00 -1.51 0.00 0.00 54.79 52.57 2jua n ASP 69 Cb 0.28 0.05 -0.06 0.00 2.34 0.00 0.00 41.12 43.73 2jua n ASP 69 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2jua h GLU 70 N 0.88 0.00 -0.62 -0.67 4.81 -0.82 -3.34 114.58 114.83 2jua h GLU 70 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2jua h GLU 70 Cb 0.45 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2jua h GLU 70 CO 0.00 0.47 0.29 0.82 -0.73 0.00 0.00 179.01 179.86 2jua h ILE 71 N -1.00 1.22 -1.00 2.32 2.04 -1.42 -2.14 117.51 117.53 2jua h ILE 71 Ca -0.07 -0.64 0.40 0.00 1.00 0.00 0.00 64.86 65.55 2jua h ILE 71 Cb 0.63 0.49 -0.18 0.00 -0.74 0.00 0.00 36.82 37.03 2jua h ILE 71 CO -0.04 0.26 0.53 0.50 0.00 0.00 0.00 178.15 179.40 2jua h LYS 72 N 0.86 0.04 -0.35 2.37 3.64 -1.71 1.47 116.57 122.88 2jua h LYS 72 Ca 0.21 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2jua h LYS 72 Cb 0.14 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2jua h LYS 72 CO -0.02 0.03 -0.09 1.96 -2.27 0.00 0.00 179.45 179.05 2jua h GLN 73 N 0.05 0.69 -0.76 1.90 4.20 -1.50 -2.52 115.11 117.16 2jua h GLN 73 Ca 0.83 -0.27 0.22 0.00 0.06 0.00 0.00 58.65 59.49 2jua h GLN 73 Cb 2.15 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.86 2jua h GLN 73 CO -0.75 0.85 0.72 1.96 -0.67 0.00 0.00 178.83 180.95 2jua h GLN 74 N 0.48 0.00 0.00 1.46 1.08 0.21 0.72 115.11 119.05 2jua h GLN 74 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2jua h GLN 74 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2jua h GLN 74 CO 0.04 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.20 2jua n LEU 75 N -3.75 0.00 -0.08 1.46 7.99 -0.95 -1.35 117.00 120.32 2jua n LEU 75 Ca 0.16 0.24 0.10 0.00 -0.01 0.00 0.00 56.01 56.50 2jua n LEU 75 Cb 0.99 -0.24 0.57 0.00 -0.11 0.00 0.00 43.42 44.63 2jua n LEU 75 CO 0.30 -0.21 0.87 1.67 -1.51 0.00 0.00 177.39 178.52 2jua n GLN 76 N -1.24 1.11 0.00 3.23 7.27 0.25 -4.63 117.38 123.37 2jua n GLN 76 Ca 0.02 -0.17 0.00 0.00 0.07 0.00 0.00 57.00 56.92 2jua n GLN 76 Cb 0.03 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.35 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jua n GLY 77 N 0.87 0.74 0.66 1.69 0.00 -0.45 -5.03 105.19 103.66 2jua n GLY 77 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 2jua n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 78 N 4.88 0.60 2.48 -0.02 0.00 -1.26 -4.95 105.19 106.93 2jua n GLY 78 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2jua n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jua n ASP 79 N 0.08 6.97 0.00 1.61 5.75 -1.26 -4.62 116.55 125.07 2jua n ASP 79 Ca 0.01 -2.72 0.03 0.00 -0.01 0.00 0.00 54.79 52.10 2jua n ASP 79 Cb 0.76 -1.58 0.15 0.00 -1.03 0.00 0.00 41.12 39.43 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jua n ASN 80 N 4.29 0.00 0.13 -1.12 4.13 -1.26 -1.33 115.26 120.10 2jua n ASN 80 Ca 0.67 0.25 -0.24 0.00 1.68 0.00 0.00 54.58 56.95 2jua n ASN 80 Cb 0.29 -0.33 -0.16 0.00 -1.54 0.00 0.00 39.78 38.05 2jua n ASN 80 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2jua h SER 81 N 0.00 0.79 -0.96 6.41 0.87 -1.86 -3.23 113.55 115.57 2jua h SER 81 Ca 0.00 -0.93 0.01 0.00 -1.23 0.00 0.00 61.79 59.64 2jua h SER 81 Cb 0.07 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 2jua h SER 81 CO 0.00 1.68 0.62 -0.07 -0.53 0.00 0.00 176.83 178.52 2jua h LEU 82 N 0.07 1.12 -1.40 2.23 4.07 -1.45 0.11 115.31 120.06 2jua h LEU 82 Ca -0.25 -0.04 0.27 0.00 0.08 0.00 0.00 57.88 57.94 2jua h LEU 82 Cb 2.10 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 43.52 2jua h LEU 82 CO 0.26 0.82 1.01 -0.74 -1.08 0.00 0.00 178.44 178.71 2jua h HIS 83 N 1.31 0.00 0.02 1.13 2.76 -1.55 3.74 115.15 122.55 2jua h HIS 83 Ca 0.35 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.15 2jua h HIS 83 Cb -0.12 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 2jua h HIS 83 CO -0.00 0.00 -2.32 0.09 -1.30 0.00 0.00 177.93 174.40 2jua n ASN 84 N -3.44 1.40 -0.08 3.26 4.13 0.30 -4.28 115.26 116.55 2jua n ASN 84 Ca 0.20 -0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.27 2jua n ASN 84 Cb 1.31 -0.09 -0.12 0.00 -1.54 0.00 0.00 39.78 39.33 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2jua h VAL 85 N 0.01 1.17 0.00 2.41 2.07 0.21 -3.27 116.25 118.85 2jua h VAL 85 Ca -0.52 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 64.74 2jua h VAL 85 Cb 2.02 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 34.41 2jua h VAL 85 CO -0.02 0.46 0.61 -0.74 0.02 0.00 0.00 177.57 177.91 2jua h HIS 86 N -0.89 0.00 0.00 1.57 -0.00 0.63 3.11 115.15 119.57 2jua h HIS 86 Ca -0.25 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 59.87 2jua h HIS 86 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.66 2jua h HIS 86 CO 0.15 0.00 -1.46 1.49 -0.00 0.00 0.00 177.93 178.11 2jua h GLU 87 N 0.00 0.00 0.13 5.26 4.81 -1.62 -3.36 114.58 119.80 2jua h GLU 87 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jua h GLU 87 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2jua h GLU 87 CO 0.00 0.59 -0.28 -0.91 -0.73 0.00 0.00 179.01 177.68 2jua h ASN 88 N 0.00 -0.83 -0.96 1.04 4.21 0.56 -1.42 115.58 118.18 2jua h ASN 88 Ca -0.19 0.08 0.17 0.00 1.21 0.00 0.00 56.30 57.56 2jua h ASN 88 Cb 1.88 0.30 -0.17 0.00 -1.12 0.00 0.00 38.32 39.22 2jua h ASN 88 CO 0.09 -0.32 -0.32 -0.38 -1.29 0.00 0.00 177.43 175.20 2jua n ILE 89 N -4.07 -0.46 -0.30 2.81 5.41 -1.22 0.18 119.36 121.70 2jua n ILE 89 Ca -0.05 2.23 -0.11 0.00 1.00 0.00 0.00 62.75 65.81 2jua n ILE 89 Cb 0.23 -3.00 -0.10 0.00 -0.71 0.00 0.00 39.64 36.07 2jua n ILE 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jua h LYS 90 N 0.00 -0.13 -0.03 0.38 1.63 -1.42 2.57 116.57 119.57 2jua h LYS 90 Ca 0.39 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.11 2jua h LYS 90 Cb 0.63 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2jua h LYS 90 CO -0.97 -0.09 -0.32 0.93 -3.45 0.00 0.00 179.45 175.56 2jua h GLU 91 N -0.14 0.27 0.66 1.90 4.39 -0.01 -2.67 114.58 118.98 2jua h GLU 91 Ca 0.12 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2jua h GLU 91 Cb 0.45 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2jua h GLU 91 CO -0.78 0.93 -0.47 0.82 -1.16 0.00 0.00 179.01 178.35 2jua h ILE 92 N -0.30 0.07 -0.15 3.13 1.08 0.27 0.78 117.51 122.38 2jua h ILE 92 Ca -0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 2jua h ILE 92 Cb 1.01 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.76 2jua h ILE 92 CO 0.06 0.00 -0.36 0.15 -0.69 0.00 0.00 178.15 177.31 2jua h PHE 93 N -1.08 -1.02 0.00 1.37 3.57 0.43 0.59 116.94 120.80 2jua h PHE 93 Ca -0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2jua h PHE 93 Cb 0.89 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2jua h PHE 93 CO -0.15 -0.43 0.00 0.72 -2.23 0.00 0.00 178.31 176.22 2jua n HIS 94 N -5.42 0.00 0.06 0.41 8.25 -1.01 -1.73 115.22 115.78 2jua n HIS 94 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 2jua n HIS 94 Cb 0.34 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 2jua n HIS 94 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jua h HIS 95 N 0.00 0.00 0.12 4.41 2.76 0.27 -3.33 115.15 119.38 2jua h HIS 95 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2jua h HIS 95 Cb 0.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2jua h HIS 95 CO 0.00 0.71 -0.06 1.25 -1.30 0.00 0.00 177.93 178.54 2jua h LEU 96 N 0.00 -0.13 0.00 0.26 6.46 -1.11 -2.94 115.31 117.84 2jua h LEU 96 Ca -0.11 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2jua h LEU 96 Cb 1.64 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 2jua h LEU 96 CO 0.07 0.47 0.21 1.21 -0.62 0.00 0.00 178.44 179.79 2jua n GLU 97 N -4.85 0.00 -0.04 1.25 2.13 -1.23 0.96 120.64 118.86 2jua n GLU 97 Ca -0.06 0.16 -0.21 0.00 0.66 0.00 0.00 57.16 57.72 2jua n GLU 97 Cb 0.22 -1.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.09 2jua n GLU 97 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jua n GLU 98 N -1.09 0.72 0.00 5.31 4.07 -1.12 -2.05 120.64 126.48 2jua n GLU 98 Ca 0.00 0.26 0.02 0.00 -0.06 0.00 0.00 57.16 57.38 2jua n GLU 98 Cb 0.21 -1.66 0.10 0.00 -0.06 0.00 0.00 31.44 30.03 2jua n GLU 98 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2jua n LEU 99 N -3.53 0.00 0.00 4.31 4.77 0.27 -1.33 117.00 121.49 2jua n LEU 99 Ca -0.36 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2jua n LEU 99 Cb 1.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2jua n LEU 99 CO 0.36 -0.10 -0.46 1.33 -1.33 0.00 0.00 177.39 177.19 2jua n VAL 100 N -1.11 0.00 0.00 4.08 0.24 -1.17 -4.61 118.33 115.76 2jua n VAL 100 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2jua n VAL 100 Cb 0.02 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2jua n VAL 100 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2jua n HIS 101 N -1.55 0.00 -0.52 6.34 -0.00 -0.44 -5.01 115.22 114.04 2jua n HIS 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jua n HIS 101 Cb 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 2jua n HIS 101 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23