#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 -0.14 0.00 1.12 4.02 -1.26 -4.81 117.16 116.09 2jua n TYR 2 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.29 2jua n TYR 2 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 2jua n TYR 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jua n GLY 3 N -1.08 0.36 0.32 2.72 0.00 -1.26 -4.94 105.19 101.31 2jua n GLY 3 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 3.35 0.39 -0.93 1.61 1.57 -2.02 -2.43 116.57 118.11 2jua h LYS 4 Ca 0.00 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.91 2jua h LYS 4 Cb 0.00 -0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.06 2jua h LYS 4 CO 0.00 0.26 -0.33 1.28 -0.57 0.00 0.00 179.45 180.09 2jua n LEU 5 N -4.48 -0.53 -0.33 2.94 7.99 -1.26 0.31 117.00 121.64 2jua n LEU 5 Ca 0.05 1.62 0.19 0.00 -0.01 0.00 0.00 56.01 57.86 2jua n LEU 5 Cb 0.20 -0.41 0.37 0.00 -0.11 0.00 0.00 43.42 43.47 2jua n LEU 5 CO 0.35 -1.48 0.88 0.78 -1.51 0.00 0.00 177.39 176.41 2jua h ASN 6 N 0.00 -0.22 -0.71 -1.43 -0.26 -1.82 5.10 115.58 116.24 2jua h ASN 6 Ca 0.36 0.27 0.04 0.00 -0.56 0.00 0.00 56.30 56.41 2jua h ASN 6 Cb 0.59 0.41 -0.04 0.00 -1.06 0.00 0.00 38.32 38.22 2jua h ASN 6 CO -0.94 -0.35 0.47 -0.78 -1.06 0.00 0.00 177.43 174.77 2jua h ASP 7 N 0.03 0.72 0.02 5.81 1.82 0.47 0.51 116.42 125.80 2jua h ASP 7 Ca 0.66 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 57.29 2jua h ASP 7 Cb 1.47 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.32 2jua h ASP 7 CO -0.85 0.49 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.18 2jua h LEU 8 N 0.83 -0.03 0.04 2.28 -0.00 0.98 -2.78 115.31 116.64 2jua h LEU 8 Ca 0.29 -0.64 0.03 0.00 -0.00 0.00 0.00 57.88 57.56 2jua h LEU 8 Cb 0.11 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.72 2jua h LEU 8 CO -0.09 0.76 -0.40 0.25 -0.00 0.00 0.00 178.44 178.97 2jua h LEU 9 N -0.96 -1.20 0.46 1.67 6.46 0.26 0.63 115.31 122.64 2jua h LEU 9 Ca -0.00 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2jua h LEU 9 Cb 0.66 0.47 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 2jua h LEU 9 CO 0.01 -0.45 -0.34 -0.33 -0.62 0.00 0.00 178.44 176.70 2jua h GLU 10 N -0.58 -0.76 -0.78 1.25 4.39 -0.13 0.30 114.58 118.28 2jua h GLU 10 Ca 0.04 0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.86 2jua h GLU 10 Cb 0.64 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.42 2jua h GLU 10 CO -0.29 -0.50 0.51 -0.44 -1.16 0.00 0.00 179.01 177.13 2jua h ASP 11 N -0.79 0.73 -0.21 1.42 5.19 -1.27 -0.82 116.42 120.67 2jua h ASP 11 Ca -0.05 0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.20 2jua h ASP 11 Cb 0.67 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2jua h ASP 11 CO 0.01 0.47 -0.51 0.25 -3.12 0.00 0.00 179.24 176.34 2jua h LEU 12 N 0.83 0.82 0.00 1.55 5.85 0.78 -2.72 115.31 122.42 2jua h LEU 12 Ca 0.34 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2jua h LEU 12 Cb 0.27 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jua h LEU 12 CO -0.12 1.24 0.00 0.00 -0.34 0.00 0.00 178.44 179.22 2jua n GLN 13 N -4.12 0.55 -0.12 1.25 10.64 0.10 -3.55 117.38 122.14 2jua n GLN 13 Ca -0.06 0.03 -0.24 0.00 -1.83 0.00 0.00 57.00 54.90 2jua n GLN 13 Cb 0.60 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.38 2jua n GLN 13 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2jua n GLU 14 N -1.17 0.57 -0.49 2.61 1.02 -0.37 -3.68 120.64 119.13 2jua n GLU 14 Ca 0.15 0.45 0.42 0.00 -0.02 0.00 0.00 57.16 58.17 2jua n GLU 14 Cb 0.16 -1.64 0.77 0.00 -0.02 0.00 0.00 31.44 30.71 2jua n GLU 14 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2jua h VAL 15 N -1.00 0.23 0.00 2.62 -1.51 -1.54 3.40 116.25 118.46 2jua h VAL 15 Ca -0.46 -0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.94 2jua h VAL 15 Cb 1.39 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2jua h VAL 15 CO -0.28 0.00 -0.31 0.17 -1.23 0.00 0.00 177.57 175.92 2jua h LEU 16 N 0.01 0.00 0.02 4.19 8.10 -1.71 -2.71 115.31 123.22 2jua h LEU 16 Ca 0.73 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.68 2jua h LEU 16 Cb 2.88 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 43.10 2jua h LEU 16 CO -0.03 0.31 -0.17 0.11 -4.11 0.00 0.00 178.44 174.54 2jua h LYS 17 N 0.00 0.09 0.00 0.17 1.79 0.62 0.10 116.57 119.34 2jua h LYS 17 Ca -0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2jua h LYS 17 Cb 1.23 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2jua h LYS 17 CO 0.04 0.96 0.00 0.72 -1.08 0.00 0.00 179.45 180.09 2jua n HIS 18 N -4.54 0.00 -0.03 -1.35 8.25 -0.54 -3.11 115.22 113.89 2jua n HIS 18 Ca -0.10 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.33 2jua n HIS 18 Cb 0.51 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 2jua n HIS 18 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jua n VAL 19 N -0.98 0.47 -0.19 1.59 0.31 -1.02 -4.08 118.33 114.43 2jua n VAL 19 Ca 0.20 -0.31 0.19 0.00 -0.01 0.00 0.00 64.34 64.40 2jua n VAL 19 Cb 0.09 -0.66 0.55 0.00 -0.91 0.00 0.00 33.84 32.91 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 0.32 0.25 4.52 2.35 -0.72 -1.73 115.58 120.57 2jua h ASN 20 Ca -0.19 0.03 -0.33 0.00 -0.55 0.00 0.00 56.30 55.26 2jua h ASN 20 Cb 1.35 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 2jua h ASN 20 CO 0.01 0.14 -2.01 1.67 -1.65 0.00 0.00 177.43 175.59 2jua n GLN 21 N -4.46 0.67 -0.99 0.81 7.27 -1.26 -4.23 117.38 115.19 2jua n GLN 21 Ca 0.17 0.20 -0.20 0.00 0.07 0.00 0.00 57.00 57.23 2jua n GLN 21 Cb 0.67 -1.68 0.04 0.00 2.41 0.00 0.00 30.24 31.69 2jua n GLN 21 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2jua n HIS 22 N -3.06 1.86 -3.40 3.69 8.25 -0.69 -4.93 115.22 116.93 2jua n HIS 22 Ca -0.27 -2.17 -0.36 0.00 -0.26 0.00 0.00 57.72 54.67 2jua n HIS 22 Cb 1.07 -1.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 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 -2.19 3.62 -0.04 4.41 -0.11 -0.94 -4.53 118.94 119.17 2jua s TRP 23 Ca 0.38 1.02 -0.18 0.00 1.22 0.00 0.00 56.10 58.54 2jua s TRP 23 Cb 0.30 -2.34 0.03 0.00 -1.50 0.00 0.00 33.47 29.97 2jua s TRP 23 CO -0.01 0.47 0.40 -1.14 -4.62 0.00 0.00 176.95 172.04 2jua s GLN 24 N -1.84 0.73 0.00 5.86 -0.44 -1.26 -4.91 119.66 117.80 2jua s GLN 24 Ca 0.35 -0.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.19 2jua s GLN 24 Cb -0.15 0.33 0.00 0.00 -1.64 0.00 0.00 33.01 31.55 2jua s GLN 24 CO 0.19 -0.20 0.00 0.41 0.50 0.00 0.00 175.29 176.19 2jua n GLY 25 N 1.36 0.98 0.00 2.59 0.00 -1.26 -4.54 105.19 104.32 2jua n GLY 25 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.03 0.92 0.00 -0.02 0.00 -1.26 -4.91 105.19 97.89 2jua n GLY 26 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.30 0.04 1.61 0.00 -1.26 -1.77 117.38 116.30 2jua n GLN 27 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.01 2jua n GLN 27 Cb 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 30.24 28.98 2jua n GLN 27 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2jua h LYS 28 N 0.00 0.00 0.03 3.69 2.10 -2.01 -3.37 116.57 117.02 2jua h LYS 28 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2jua h LYS 28 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2jua h LYS 28 CO 0.00 0.28 -0.57 -0.91 -2.00 0.00 0.00 179.45 176.26 2jua h ASN 29 N 0.00 0.44 -1.29 7.07 2.35 -1.73 -3.20 115.58 119.22 2jua h ASN 29 Ca -0.14 -0.82 0.37 0.00 -0.55 0.00 0.00 56.30 55.16 2jua h ASN 29 Cb 1.54 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.72 2jua h ASN 29 CO 0.04 1.21 0.98 0.80 -1.65 0.00 0.00 177.43 178.81 2jua n MET 30 N -4.26 0.00 -0.08 0.81 0.00 -1.25 0.06 117.12 112.40 2jua n MET 30 Ca -0.11 0.75 -0.06 0.00 -0.00 0.00 0.00 57.70 58.27 2jua n MET 30 Cb 0.67 -1.74 -0.02 0.00 0.00 0.00 0.00 33.22 32.13 2jua n MET 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2jua n ASN 31 N -3.24 1.83 -0.32 6.12 5.03 -1.22 -2.90 115.26 120.56 2jua n ASN 31 Ca 0.29 0.58 0.23 0.00 0.87 0.00 0.00 54.58 56.56 2jua n ASN 31 Cb 1.36 -0.86 0.52 0.00 -1.02 0.00 0.00 39.78 39.78 2jua n ASN 31 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2jua h LYS 32 N -1.00 0.37 0.29 3.52 1.57 -0.54 -1.18 116.57 119.60 2jua h LYS 32 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jua h LYS 32 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2jua h LYS 32 CO -0.01 0.24 -0.14 -0.39 -0.57 0.00 0.00 179.45 178.58 2jua h VAL 33 N 0.38 0.42 -1.25 0.50 -1.51 -0.55 -2.48 116.25 111.75 2jua h VAL 33 Ca 0.59 -0.83 0.44 0.00 -1.23 0.00 0.00 66.70 65.67 2jua h VAL 33 Cb 1.54 0.69 -0.15 0.00 -2.13 0.00 0.00 31.29 31.24 2jua h VAL 33 CO -0.29 0.10 0.78 -0.78 -1.23 0.00 0.00 177.57 176.15 2jua h ASP 34 N -0.99 0.26 0.22 4.19 3.58 -1.12 3.11 116.42 125.67 2jua h ASP 34 Ca -0.04 0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.44 2jua h ASP 34 Cb 0.47 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2jua h ASP 34 CO 0.07 -0.27 -0.57 0.45 -2.88 0.00 0.00 179.24 176.04 2jua h HIS 35 N 0.05 0.46 -0.13 0.28 3.86 -1.20 -1.23 115.15 117.23 2jua h HIS 35 Ca 0.85 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.89 2jua h HIS 35 Cb 2.55 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 30.93 2jua h HIS 35 CO -0.01 0.84 0.07 0.45 0.86 0.00 0.00 177.93 180.14 2jua h HIS 36 N 0.28 0.19 0.49 2.45 3.86 0.61 -2.06 115.15 120.97 2jua h HIS 36 Ca 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2jua h HIS 36 Cb 1.07 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2jua h HIS 36 CO 0.03 0.22 -0.24 -0.07 0.86 0.00 0.00 177.93 178.73 2jua h LEU 37 N 0.10 -0.56 -1.40 2.43 4.07 -1.30 -1.39 115.31 117.26 2jua h LEU 37 Ca 0.05 -0.06 0.48 0.00 0.08 0.00 0.00 57.88 58.42 2jua h LEU 37 Cb 0.10 0.15 -0.13 0.00 1.08 0.00 0.00 40.66 41.85 2jua h LEU 37 CO -0.01 -0.17 0.92 0.00 -1.08 0.00 0.00 178.44 178.10 2jua n GLN 38 N -5.24 -0.03 0.08 1.13 6.02 -0.47 0.44 117.38 119.31 2jua n GLN 38 Ca -0.10 1.20 -0.08 0.00 -0.01 0.00 0.00 57.00 58.01 2jua n GLN 38 Cb 0.30 -2.41 -0.05 0.00 1.02 0.00 0.00 30.24 29.11 2jua n GLN 38 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2jua h ASN 39 N 0.00 0.16 0.00 1.08 -1.24 -1.07 -3.10 115.58 111.41 2jua h ASN 39 Ca 0.86 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.73 2jua h ASN 39 Cb 2.86 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 41.86 2jua h ASN 39 CO -0.41 1.02 -0.31 0.58 -1.29 0.00 0.00 177.43 177.02 2jua h VAL 40 N 0.05 0.00 -0.95 2.57 2.07 1.03 -3.27 116.25 117.75 2jua h VAL 40 Ca -0.04 -1.00 0.40 0.00 0.82 0.00 0.00 66.70 66.87 2jua h VAL 40 Cb 1.64 0.01 -0.17 0.00 -1.52 0.00 0.00 31.29 31.24 2jua h VAL 40 CO 0.14 0.00 0.51 -0.38 0.02 0.00 0.00 177.57 177.86 2jua n ILE 41 N -4.68 -0.40 0.02 4.57 5.41 0.40 0.40 119.36 125.08 2jua n ILE 41 Ca -0.04 1.93 0.01 0.00 1.00 0.00 0.00 62.75 65.65 2jua n ILE 41 Cb 0.16 -3.13 0.34 0.00 -0.71 0.00 0.00 39.64 36.30 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 0.49 0.00 0.38 4.81 -1.67 -0.22 114.58 118.37 2jua h GLU 42 Ca 0.80 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.93 2jua h GLU 42 Cb 2.12 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.42 2jua h GLU 42 CO -0.73 0.48 -0.10 0.22 -0.73 0.00 0.00 179.01 178.15 2jua h ASP 43 N 0.48 0.00 0.04 1.04 1.82 0.78 -2.59 116.42 117.99 2jua h ASP 43 Ca 0.11 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 2jua h ASP 43 Cb 0.24 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.26 2jua h ASP 43 CO 0.00 0.10 -0.25 0.40 -1.61 0.00 0.00 179.24 177.89 2jua h ILE 44 N 0.00 1.70 -0.88 2.25 2.04 -0.66 -2.93 117.51 119.03 2jua h ILE 44 Ca -0.00 -2.37 0.24 0.00 1.00 0.00 0.00 64.86 63.74 2jua h ILE 44 Cb 0.30 3.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.63 2jua h ILE 44 CO 0.01 0.63 0.62 -0.74 0.00 0.00 0.00 178.15 178.68 2jua h HIS 45 N -0.78 0.12 -0.00 1.37 2.76 -1.08 1.77 115.15 119.30 2jua h HIS 45 Ca -0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2jua h HIS 45 Cb 1.18 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2jua h HIS 45 CO 0.25 0.03 -0.19 -3.47 -1.30 0.00 0.00 177.93 173.24 2jua n ASP 46 N -4.33 0.43 0.16 3.26 2.03 -1.00 -3.39 116.55 113.71 2jua n ASP 46 Ca 0.18 -0.30 0.13 0.00 0.52 0.00 0.00 54.79 55.32 2jua n ASP 46 Cb 0.89 -0.06 0.36 0.00 -0.72 0.00 0.00 41.12 41.58 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 0.37 0.00 0.00 -0.67 3.04 0.29 -0.19 116.94 119.78 2jua h PHE 47 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2jua h PHE 47 Cb 0.43 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 2jua h PHE 47 CO 0.00 0.00 -0.19 0.52 -2.02 0.00 0.00 178.31 176.62 2jua h MET 48 N 0.00 0.00 -0.33 1.11 0.00 -1.56 -3.33 114.93 110.83 2jua h MET 48 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 59.70 59.58 2jua h MET 48 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.37 2jua h MET 48 CO 0.00 0.26 -0.28 -0.56 0.00 0.00 0.00 176.91 176.33 2jua h GLN 49 N -1.00 0.76 0.00 1.72 -0.00 -1.71 -2.49 115.11 112.40 2jua h GLN 49 Ca -0.03 -0.39 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 2jua h GLN 49 Cb 0.39 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 2jua h GLN 49 CO -0.02 1.01 0.12 0.41 -0.00 0.00 0.00 178.83 180.36 2jua n GLY 50 N 0.11 -0.11 4.63 0.06 0.00 -0.08 -4.62 105.19 105.17 2jua n GLY 50 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.98 0.62 0.00 -0.02 0.00 -0.94 -3.55 105.19 100.33 2jua n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.84 -0.47 2.03 -0.02 0.00 -1.25 -5.00 105.19 98.64 2jua n GLY 52 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 3.63 0.12 1.61 7.64 -1.23 -4.50 113.62 120.89 2jua n SER 53 Ca 0.00 -2.13 0.02 0.00 1.01 0.00 0.00 58.87 57.77 2jua n SER 53 Cb 0.00 -0.93 0.10 0.00 -1.01 0.00 0.00 64.21 62.37 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 2.41 -0.31 0.08 0.23 0.00 -1.26 0.31 105.19 106.65 2jua n GLY 54 Ca 0.22 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 1.97 -0.02 0.00 -2.01 -3.25 103.07 99.76 2jua h GLY 55 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2jua h GLY 55 CO 0.00 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.12 2jua h LYS 56 N 0.00 0.00 0.17 4.80 1.63 0.45 -3.33 116.57 120.29 2jua h LYS 56 Ca -0.22 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 2jua h LYS 56 Cb 1.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.52 2jua h LYS 56 CO 0.08 0.10 -0.08 1.25 -3.45 0.00 0.00 179.45 177.34 2jua h LEU 57 N 0.00 -0.19 0.00 5.20 6.46 -1.53 -3.04 115.31 122.21 2jua h LEU 57 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jua h LEU 57 Cb 1.08 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2jua h LEU 57 CO 0.01 0.25 0.28 0.00 -0.62 0.00 0.00 178.44 178.36 2jua n GLN 58 N -4.79 0.00 -0.05 1.25 1.13 -1.23 -0.01 117.38 113.69 2jua n GLN 58 Ca -0.03 0.14 -0.05 0.00 -1.94 0.00 0.00 57.00 55.12 2jua n GLN 58 Cb 0.09 -1.78 -0.05 0.00 0.11 0.00 0.00 30.24 28.61 2jua n GLN 58 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jua h GLU 59 N 0.00 -0.02 0.00 -1.09 4.81 -1.63 -3.31 114.58 113.34 2jua h GLU 59 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2jua h GLU 59 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2jua h GLU 59 CO 0.00 0.35 -0.02 0.00 -0.73 0.00 0.00 179.01 178.61 2jua h MET 60 N -1.00 0.00 -1.50 1.92 -0.00 -0.47 -3.11 114.93 110.77 2jua h MET 60 Ca -0.00 0.00 0.45 0.00 -0.00 0.00 0.00 59.70 60.15 2jua h MET 60 Cb 0.38 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 31.89 2jua h MET 60 CO 0.00 0.02 1.04 1.98 -0.00 0.00 0.00 176.91 179.96 2jua h MET 61 N 0.00 0.06 -0.17 -0.10 1.85 -1.10 1.62 114.93 117.09 2jua h MET 61 Ca -0.00 -0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 58.88 2jua h MET 61 Cb 0.68 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 32.71 2jua h MET 61 CO 0.00 0.04 -0.69 0.87 -0.40 0.00 0.00 176.91 176.72 2jua h LYS 62 N 0.06 0.76 0.00 0.39 1.57 -1.72 -2.61 116.57 115.02 2jua h LYS 62 Ca 0.79 -0.60 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2jua h LYS 62 Cb 2.85 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 35.27 2jua h LYS 62 CO -0.17 1.21 -0.50 1.49 -0.57 0.00 0.00 179.45 180.91 2jua h GLU 63 N 0.49 0.00 0.58 3.15 4.57 0.18 -3.23 114.58 120.32 2jua h GLU 63 Ca -0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2jua h GLU 63 Cb 1.32 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2jua h GLU 63 CO 0.15 0.50 -0.28 0.35 -1.18 0.00 0.00 179.01 178.55 2jua h PHE 64 N 0.00 -0.72 0.00 0.92 3.04 0.29 -2.46 116.94 118.01 2jua h PHE 64 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2jua h PHE 64 Cb 1.19 0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.94 2jua h PHE 64 CO 0.00 -0.40 0.01 0.94 -2.02 0.00 0.00 178.31 176.84 2jua n GLN 65 N -5.30 0.00 -0.03 1.11 -0.06 -0.99 -1.42 117.38 110.69 2jua n GLN 65 Ca -0.11 0.07 -0.22 0.00 -2.00 0.00 0.00 57.00 54.74 2jua n GLN 65 Cb 0.33 -1.51 -0.13 0.00 -4.06 0.00 0.00 30.24 24.87 2jua n GLN 65 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2jua h GLN 66 N 0.00 0.17 0.51 3.69 7.50 -1.45 -3.32 115.11 122.21 2jua h GLN 66 Ca 0.00 -0.29 -0.03 0.00 0.50 0.00 0.00 58.65 58.83 2jua h GLN 66 Cb 0.02 0.11 0.01 0.00 0.05 0.00 0.00 27.48 27.66 2jua h GLN 66 CO 0.00 1.14 -0.25 0.28 -1.50 0.00 0.00 178.83 178.50 2jua h VAL 67 N -0.39 0.00 -1.51 -0.54 2.07 -1.16 0.52 116.25 115.24 2jua h VAL 67 Ca -0.37 -0.06 0.44 0.00 0.82 0.00 0.00 66.70 67.53 2jua h VAL 67 Cb 1.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2jua h VAL 67 CO -0.02 0.00 1.25 0.17 0.02 0.00 0.00 177.57 178.99 2jua h LEU 68 N -0.75 0.00 0.09 2.57 8.10 -1.77 1.65 115.31 125.20 2jua h LEU 68 Ca -0.07 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.59 2jua h LEU 68 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 2jua h LEU 68 CO 0.12 0.00 -1.77 0.44 -4.11 0.00 0.00 178.44 173.11 2jua h ASP 69 N 0.00 0.30 -0.41 0.17 3.32 -1.50 -2.79 116.42 115.51 2jua h ASP 69 Ca 0.72 -0.58 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2jua h ASP 69 Cb 3.21 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 42.64 2jua h ASP 69 CO -0.01 1.51 0.07 -0.33 -1.72 0.00 0.00 179.24 178.75 2jua h GLU 70 N 0.05 0.77 0.10 3.56 4.39 0.75 -2.95 114.58 121.26 2jua h GLU 70 Ca -0.33 -0.17 -0.23 0.00 0.34 0.00 0.00 59.36 58.97 2jua h GLU 70 Cb 2.03 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 30.59 2jua h GLU 70 CO 0.11 0.73 -0.95 0.82 -1.16 0.00 0.00 179.01 178.56 2jua h ILE 71 N 0.73 1.39 -1.00 3.13 2.04 -1.05 -3.29 117.51 119.47 2jua h ILE 71 Ca 0.15 -2.39 0.14 0.00 1.00 0.00 0.00 64.86 63.76 2jua h ILE 71 Cb 0.35 2.85 -0.15 0.00 -0.74 0.00 0.00 36.82 39.13 2jua h ILE 71 CO 0.01 0.70 -0.44 1.17 0.00 0.00 0.00 178.15 179.59 2jua n LYS 72 N -4.01 -0.29 -0.25 2.37 4.81 -1.05 0.14 118.16 119.88 2jua n LYS 72 Ca -0.13 1.53 0.06 0.00 -0.87 0.00 0.00 58.31 58.89 2jua n LYS 72 Cb 0.86 -2.26 0.29 0.00 0.02 0.00 0.00 35.03 33.94 2jua n LYS 72 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2jua h GLN 73 N 0.00 0.87 -0.52 1.64 4.20 -1.65 -0.74 115.11 118.92 2jua h GLN 73 Ca 0.30 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.04 2jua h GLN 73 Cb 0.55 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2jua h GLN 73 CO -0.98 0.58 0.35 1.96 -0.67 0.00 0.00 178.83 180.07 2jua h GLN 74 N 0.90 0.32 -0.18 1.46 1.08 0.12 0.58 115.11 119.39 2jua h GLN 74 Ca 0.36 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.60 2jua h GLN 74 Cb 0.26 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2jua h GLN 74 CO -0.13 0.21 0.32 -0.07 -0.95 0.00 0.00 178.83 178.21 2jua h LEU 75 N 0.33 0.00 -4.80 1.46 -0.00 -0.60 -3.01 115.31 108.69 2jua h LEU 75 Ca 0.24 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.89 2jua h LEU 75 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2jua h LEU 75 CO -0.06 0.00 1.07 0.00 -0.00 0.00 0.00 178.44 179.45 2jua n GLN 76 N -3.39 1.61 0.00 1.13 6.02 0.19 -4.56 117.38 118.38 2jua n GLN 76 Ca 0.02 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 2jua n GLN 76 Cb 0.43 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jua n GLY 77 N 3.12 2.02 0.79 1.08 0.00 -1.14 -4.90 105.19 106.16 2jua n GLY 77 Ca 0.34 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 4.01 1.70 -0.02 0.00 -1.26 -4.65 105.19 104.96 2jua n GLY 78 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.51 5.50 0.00 1.61 5.68 -1.26 -4.51 116.55 123.05 2jua n ASP 79 Ca 0.20 -2.80 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 2jua n ASP 79 Cb 0.83 -0.97 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jua n ASN 80 N 0.51 0.00 0.01 -1.12 3.02 -1.26 -0.12 115.26 116.30 2jua n ASN 80 Ca 0.21 0.08 -0.20 0.00 -0.03 0.00 0.00 54.58 54.64 2jua n ASN 80 Cb 0.63 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.58 2jua n ASN 80 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2jua h SER 81 N 0.00 0.37 -0.91 6.41 0.87 -1.87 -3.26 113.55 115.16 2jua h SER 81 Ca 0.00 -0.88 0.14 0.00 -1.23 0.00 0.00 61.79 59.82 2jua h SER 81 Cb 0.08 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 61.84 2jua h SER 81 CO 0.00 1.48 0.58 -0.07 -0.53 0.00 0.00 176.83 178.29 2jua h LEU 82 N -0.42 0.69 -1.76 2.23 4.07 -0.76 0.57 115.31 119.94 2jua h LEU 82 Ca -0.22 0.04 0.36 0.00 0.08 0.00 0.00 57.88 58.14 2jua h LEU 82 Cb 1.64 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 43.23 2jua h LEU 82 CO 0.08 0.35 1.03 -0.74 -1.08 0.00 0.00 178.44 178.07 2jua h HIS 83 N 0.73 0.00 0.01 1.13 2.76 -1.59 3.44 115.15 121.63 2jua h HIS 83 Ca 0.46 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.29 2jua h HIS 83 Cb 0.71 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.61 2jua h HIS 83 CO -0.00 0.00 -2.08 0.09 -1.30 0.00 0.00 177.93 174.64 2jua n ASN 84 N -3.81 0.80 -0.09 3.26 3.02 0.20 -4.00 115.26 114.64 2jua n ASN 84 Ca 0.27 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.77 2jua n ASN 84 Cb 1.42 0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 40.68 2jua n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jua n VAL 85 N -3.01 1.58 0.16 2.41 0.31 0.32 -3.93 118.33 116.17 2jua n VAL 85 Ca -0.28 -0.18 0.18 0.00 -0.01 0.00 0.00 64.34 64.06 2jua n VAL 85 Cb 1.09 -1.96 0.72 0.00 -0.91 0.00 0.00 33.84 32.78 2jua n VAL 85 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2jua h HIS 86 N -0.79 0.00 0.00 3.52 -0.00 0.57 1.03 115.15 119.48 2jua h HIS 86 Ca -0.40 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 59.89 2jua h HIS 86 Cb 1.48 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.87 2jua h HIS 86 CO 0.08 0.00 -0.38 1.05 -0.00 0.00 0.00 177.93 178.68 2jua h GLU 87 N 0.00 0.00 0.33 5.26 -0.00 -1.68 -3.26 114.58 115.23 2jua h GLU 87 Ca 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.49 2jua h GLU 87 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2jua h GLU 87 CO -0.00 0.38 -0.16 -0.91 -0.00 0.00 0.00 179.01 178.32 2jua h ASN 88 N 0.00 -0.37 -0.94 3.06 2.35 0.98 -2.91 115.58 117.75 2jua h ASN 88 Ca -0.00 -0.15 0.27 0.00 -0.55 0.00 0.00 56.30 55.87 2jua h ASN 88 Cb 1.06 0.10 -0.16 0.00 0.05 0.00 0.00 38.32 39.37 2jua h ASN 88 CO 0.05 -0.03 0.19 0.40 -1.65 0.00 0.00 177.43 176.39 2jua h ILE 89 N -0.75 0.16 -0.48 2.81 1.08 -1.59 1.18 117.51 119.91 2jua h ILE 89 Ca -0.04 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 2jua h ILE 89 Cb 0.50 0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.23 2jua h ILE 89 CO 0.07 0.02 -0.46 0.50 -0.69 0.00 0.00 178.15 177.59 2jua h LYS 90 N 0.10 -0.22 0.12 2.37 1.63 -1.58 1.65 116.57 120.63 2jua h LYS 90 Ca 0.61 0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 60.21 2jua h LYS 90 Cb 1.30 0.05 0.02 0.00 -0.60 0.00 0.00 32.23 33.00 2jua h LYS 90 CO -0.78 -0.15 -0.88 1.05 -3.45 0.00 0.00 179.45 175.25 2jua h GLU 91 N -0.23 0.39 -0.51 1.90 4.11 -0.95 -2.72 114.58 116.58 2jua h GLU 91 Ca 0.08 -0.58 0.09 0.00 0.07 0.00 0.00 59.36 59.02 2jua h GLU 91 Cb 0.44 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2jua h GLU 91 CO -0.57 1.25 0.09 0.82 0.07 0.00 0.00 179.01 180.66 2jua h ILE 92 N -0.17 0.69 -0.11 -1.06 1.08 0.17 1.06 117.51 119.16 2jua h ILE 92 Ca -0.14 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2jua h ILE 92 Cb 1.65 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2jua h ILE 92 CO 0.17 0.04 0.01 0.15 -0.69 0.00 0.00 178.15 177.83 2jua h PHE 93 N 0.22 0.20 0.00 1.37 3.57 0.23 -1.76 116.94 120.78 2jua h PHE 93 Ca 0.26 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2jua h PHE 93 Cb 0.36 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2jua h PHE 93 CO -0.24 0.40 0.00 1.58 -2.23 0.00 0.00 178.31 177.82 2jua n HIS 94 N -4.83 0.00 0.10 0.41 -0.00 -0.82 -2.48 115.22 107.60 2jua n HIS 94 Ca -0.06 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.18 2jua n HIS 94 Cb 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 2jua n HIS 94 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2jua h HIS 95 N 0.00 0.00 0.03 1.57 3.86 0.21 -3.31 115.15 117.51 2jua h HIS 95 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jua h HIS 95 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2jua h HIS 95 CO 0.00 0.29 -0.01 1.25 0.86 0.00 0.00 177.93 180.32 2jua h LEU 96 N 0.00 -0.03 0.00 2.43 6.46 -1.39 -3.01 115.31 119.77 2jua h LEU 96 Ca -0.06 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2jua h LEU 96 Cb 1.27 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2jua h LEU 96 CO 0.03 0.56 0.19 -0.62 -0.62 0.00 0.00 178.44 177.98 2jua n GLU 97 N -4.77 0.00 -0.03 1.25 1.02 -1.24 0.78 120.64 117.65 2jua n GLU 97 Ca -0.03 0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 57.07 2jua n GLU 97 Cb 0.12 -1.69 -0.13 0.00 -0.02 0.00 0.00 31.44 29.72 2jua n GLU 97 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2jua n GLU 98 N -1.10 0.70 0.00 3.49 0.00 -1.17 -1.84 120.64 120.72 2jua n GLU 98 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 57.16 57.52 2jua n GLU 98 Cb 0.19 -1.70 0.11 0.00 0.00 0.00 0.00 31.44 30.04 2jua n GLU 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2jua n LEU 99 N -3.73 0.00 -0.05 4.31 4.77 0.23 -1.79 117.00 120.75 2jua n LEU 99 Ca -0.33 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 2jua n LEU 99 Cb 0.95 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2jua n LEU 99 CO 0.35 -0.27 -0.83 1.33 -1.33 0.00 0.00 177.39 176.65 2jua n VAL 100 N -1.31 0.63 0.01 4.08 0.24 -1.12 -4.45 118.33 116.41 2jua n VAL 100 Ca 0.02 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2jua n VAL 100 Cb 0.04 -0.82 0.02 0.00 -1.47 0.00 0.00 33.84 31.61 2jua n VAL 100 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2jua n HIS 101 N -2.54 0.02 0.72 6.34 8.25 -0.74 -5.05 115.22 122.22 2jua n HIS 101 Ca -0.17 0.01 0.09 0.00 -0.26 0.00 0.00 57.72 57.39 2jua n HIS 101 Cb 0.76 -0.40 0.07 0.00 1.12 0.00 0.00 29.99 31.55 2jua n HIS 101 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52