#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 3.17 4.02 -1.26 -4.81 117.16 118.28 2jua n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2jua n TYR 2 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 -0.96 0.45 0.21 2.72 0.00 -1.26 -4.94 105.19 101.41 2jua n GLY 3 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 4.65 0.00 -0.81 1.61 1.57 -2.02 -3.03 116.57 118.53 2jua h LYS 4 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2jua h LYS 4 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 2jua h LYS 4 CO 0.00 0.27 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.73 2jua h LEU 5 N 0.00 -1.27 -0.99 2.94 -0.00 -1.95 1.38 115.31 115.42 2jua h LEU 5 Ca -0.00 0.27 0.35 0.00 -0.00 0.00 0.00 57.88 58.49 2jua h LEU 5 Cb 0.53 0.66 -0.18 0.00 -0.00 0.00 0.00 40.66 41.67 2jua h LEU 5 CO 0.04 -0.30 0.32 -0.55 -0.00 0.00 0.00 178.44 177.95 2jua h ASN 6 N -0.07 -0.02 -0.41 -0.43 7.08 -1.91 4.89 115.58 124.72 2jua h ASN 6 Ca 0.30 0.26 -0.02 0.00 -3.08 0.00 0.00 56.30 53.76 2jua h ASN 6 Cb 0.58 0.35 -0.02 0.00 -2.08 0.00 0.00 38.32 37.15 2jua h ASN 6 CO -0.85 -0.38 0.18 0.44 -2.08 0.00 0.00 177.43 174.75 2jua h ASP 7 N 0.03 0.59 0.09 6.14 5.19 0.17 0.48 116.42 129.10 2jua h ASP 7 Ca 0.73 -0.06 -0.16 0.00 -0.62 0.00 0.00 57.03 56.91 2jua h ASP 7 Cb 1.76 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 41.13 2jua h ASP 7 CO -0.82 0.53 -0.69 -0.07 -3.12 0.00 0.00 179.24 175.07 2jua h LEU 8 N 0.65 0.45 0.89 1.55 -0.00 0.95 -1.89 115.31 117.91 2jua h LEU 8 Ca 0.16 -0.90 -0.04 0.00 -0.00 0.00 0.00 57.88 57.10 2jua h LEU 8 Cb 0.13 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2jua h LEU 8 CO -0.02 1.31 -0.43 0.25 -0.00 0.00 0.00 178.44 179.55 2jua h LEU 9 N -0.34 -1.01 0.48 1.67 6.46 0.24 0.21 115.31 123.02 2jua h LEU 9 Ca -0.11 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 2jua h LEU 9 Cb 1.49 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 2jua h LEU 9 CO 0.13 -0.71 -0.23 -0.08 -0.62 0.00 0.00 178.44 176.93 2jua h GLU 10 N -1.22 -0.62 -0.31 1.25 4.57 -0.20 0.11 114.58 118.16 2jua h GLU 10 Ca -0.12 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.19 2jua h GLU 10 Cb 0.92 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 2jua h GLU 10 CO 0.20 -0.39 0.32 0.22 -1.18 0.00 0.00 179.01 178.19 2jua h ASP 11 N -0.69 0.00 0.00 1.04 1.82 -1.36 0.11 116.42 117.34 2jua h ASP 11 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2jua h ASP 11 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2jua h ASP 11 CO 0.11 0.00 -0.01 0.25 -1.61 0.00 0.00 179.24 177.98 2jua h LEU 12 N 0.00 0.00 -1.32 2.28 5.85 0.29 -3.05 115.31 119.36 2jua h LEU 12 Ca 0.15 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2jua h LEU 12 Cb 0.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2jua h LEU 12 CO -0.00 0.09 0.65 0.06 -0.34 0.00 0.00 178.44 178.90 2jua h GLN 13 N -0.17 0.00 0.27 1.25 3.07 -0.68 -0.90 115.11 117.95 2jua h GLN 13 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2jua h GLN 13 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2jua h GLN 13 CO 0.00 0.00 -0.13 0.93 0.09 0.00 0.00 178.83 179.72 2jua h GLU 14 N 0.00 -0.35 -1.01 0.06 5.08 -1.05 -1.20 114.58 116.11 2jua h GLU 14 Ca 0.09 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.77 2jua h GLU 14 Cb 1.39 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 2jua h GLU 14 CO -0.00 -0.23 1.02 -0.39 -1.00 0.00 0.00 179.01 178.41 2jua h VAL 15 N -0.72 0.12 0.06 3.13 -1.51 -1.05 3.69 116.25 119.97 2jua h VAL 15 Ca -0.04 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.20 2jua h VAL 15 Cb 0.28 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.63 2jua h VAL 15 CO 0.06 0.00 -1.06 0.25 -1.23 0.00 0.00 177.57 175.59 2jua h LEU 16 N 0.00 0.33 0.41 4.19 5.85 -1.25 -2.77 115.31 122.06 2jua h LEU 16 Ca 0.48 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2jua h LEU 16 Cb 2.52 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.45 2jua h LEU 16 CO -0.01 1.18 -0.20 0.11 -0.34 0.00 0.00 178.44 179.19 2jua h LYS 17 N 0.09 -0.53 0.00 1.25 1.57 0.82 -2.33 116.57 117.45 2jua h LYS 17 Ca -0.08 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2jua h LYS 17 Cb 1.75 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.18 2jua h LYS 17 CO 0.17 -0.27 0.00 1.58 -0.57 0.00 0.00 179.45 180.36 2jua n HIS 18 N -5.15 0.00 0.55 -1.35 -0.00 -0.49 -0.50 115.22 108.28 2jua n HIS 18 Ca -0.08 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.19 2jua n HIS 18 Cb 0.26 -0.13 -0.13 0.00 -0.12 0.00 0.00 29.99 29.87 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 -1.13 0.00 0.06 3.57 0.31 -1.04 -3.77 118.33 116.33 2jua n VAL 19 Ca 0.02 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 2jua n VAL 19 Cb 0.02 0.62 -0.13 0.00 -0.91 0.00 0.00 33.84 33.44 2jua n VAL 19 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2jua h ASN 20 N 0.00 0.18 1.16 4.52 -0.00 -0.25 -2.56 115.58 118.63 2jua h ASN 20 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 56.30 56.08 2jua h ASN 20 Cb 0.63 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.90 2jua h ASN 20 CO 0.00 1.18 -0.78 1.56 -0.00 0.00 0.00 177.43 179.39 2jua h GLN 21 N 0.03 0.00 -0.30 6.67 1.08 -1.75 -3.32 115.11 117.53 2jua h GLN 21 Ca -0.12 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 2jua h GLN 21 Cb 1.90 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.27 2jua h GLN 21 CO 0.15 0.00 -0.02 0.72 -0.95 0.00 0.00 178.83 178.73 2jua n HIS 22 N -2.69 1.00 -2.74 2.96 8.25 -1.24 -5.01 115.22 115.76 2jua n HIS 22 Ca 0.01 -1.22 -0.37 0.00 -0.26 0.00 0.00 57.72 55.87 2jua n HIS 22 Cb 0.53 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 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 -3.03 3.68 0.15 4.41 -0.11 -0.97 -4.52 118.94 118.55 2jua s TRP 23 Ca 0.43 1.78 -0.02 0.00 1.22 0.00 0.00 56.10 59.51 2jua s TRP 23 Cb 0.37 -2.97 0.01 0.00 -1.50 0.00 0.00 33.47 29.38 2jua s TRP 23 CO 0.05 0.12 0.24 1.04 -4.62 0.00 0.00 176.95 173.77 2jua n GLN 24 N 0.64 0.34 -1.80 5.86 6.02 -1.26 -4.91 117.38 122.27 2jua n GLN 24 Ca 0.02 -1.05 -0.12 0.00 -0.01 0.00 0.00 57.00 55.84 2jua n GLN 24 Cb 0.49 1.09 -0.03 0.00 1.02 0.00 0.00 30.24 32.82 2jua n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jua n GLY 25 N -0.23 0.56 0.00 1.08 0.00 -1.26 -4.68 105.19 100.66 2jua n GLY 25 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.27 2.21 0.60 -0.02 0.00 -1.26 -4.89 105.19 100.56 2jua n GLY 26 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.26 1.06 -0.06 1.61 7.27 -1.26 -3.49 117.38 122.76 2jua n GLN 27 Ca 0.00 -0.06 -0.16 0.00 0.07 0.00 0.00 57.00 56.86 2jua n GLN 27 Cb 0.00 -1.44 -0.14 0.00 2.41 0.00 0.00 30.24 31.08 2jua n GLN 27 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2jua n LYS 28 N 0.08 0.69 0.19 3.69 2.85 -1.26 -4.16 118.16 120.24 2jua n LYS 28 Ca 0.01 0.18 0.04 0.00 -1.05 0.00 0.00 58.31 57.49 2jua n LYS 28 Cb 0.31 -1.63 0.36 0.00 -0.65 0.00 0.00 35.03 33.42 2jua n LYS 28 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 2jua h ASN 29 N 0.02 0.00 -0.42 -5.58 7.08 -1.93 -2.67 115.58 112.07 2jua h ASN 29 Ca -0.47 0.00 0.12 0.00 -3.08 0.00 0.00 56.30 52.87 2jua h ASN 29 Cb 2.03 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 38.26 2jua h ASN 29 CO 0.02 0.38 0.35 -0.03 -2.08 0.00 0.00 177.43 176.08 2jua h MET 30 N 0.00 0.00 0.12 4.14 4.05 -1.76 0.45 114.93 121.93 2jua h MET 30 Ca -0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 2jua h MET 30 Cb 0.79 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 2jua h MET 30 CO 0.05 0.00 -1.27 -0.91 0.23 0.00 0.00 176.91 175.01 2jua h ASN 31 N 0.00 0.41 -0.39 1.39 -0.26 -1.69 -2.16 115.58 112.88 2jua h ASN 31 Ca 0.20 -0.88 -0.06 0.00 -0.56 0.00 0.00 56.30 55.00 2jua h ASN 31 Cb 0.90 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2jua h ASN 31 CO -0.00 1.57 0.00 0.11 -1.06 0.00 0.00 177.43 178.05 2jua h LYS 32 N -0.31 0.68 -0.34 0.81 1.57 -1.25 -3.04 116.57 114.68 2jua h LYS 32 Ca -0.27 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.13 2jua h LYS 32 Cb 1.74 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 2jua h LYS 32 CO 0.09 0.78 -0.44 -0.39 -0.57 0.00 0.00 179.45 178.91 2jua h VAL 33 N 0.51 1.27 -1.42 0.50 -1.51 -0.30 -2.93 116.25 112.38 2jua h VAL 33 Ca 0.11 -1.62 0.44 0.00 -1.23 0.00 0.00 66.70 64.40 2jua h VAL 33 Cb 0.47 1.49 -0.11 0.00 -2.13 0.00 0.00 31.29 31.01 2jua h VAL 33 CO 0.02 0.54 0.95 -0.78 -1.23 0.00 0.00 177.57 177.06 2jua h ASP 34 N 0.71 0.19 0.09 4.19 1.82 -1.27 0.73 116.42 122.88 2jua h ASP 34 Ca 0.04 0.10 -0.18 0.00 -0.39 0.00 0.00 57.03 56.60 2jua h ASP 34 Cb 1.05 0.09 0.02 0.00 0.68 0.00 0.00 39.33 41.16 2jua h ASP 34 CO 0.10 -0.12 -0.76 0.45 -1.61 0.00 0.00 179.24 177.30 2jua h HIS 35 N 0.08 0.59 -0.60 0.28 3.86 -1.54 -1.88 115.15 115.94 2jua h HIS 35 Ca 0.81 -0.39 0.12 0.00 -1.16 0.00 0.00 60.37 59.76 2jua h HIS 35 Cb 2.72 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 31.05 2jua h HIS 35 CO -0.00 1.26 0.01 0.45 0.86 0.00 0.00 177.93 180.51 2jua h HIS 36 N -0.24 -0.02 0.10 2.45 3.86 0.48 0.17 115.15 121.94 2jua h HIS 36 Ca -0.12 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2jua h HIS 36 Cb 1.54 0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.12 2jua h HIS 36 CO 0.18 -0.15 -0.05 -0.07 0.86 0.00 0.00 177.93 178.70 2jua h LEU 37 N 0.13 -0.11 -0.98 2.43 3.38 -1.40 -2.73 115.31 116.02 2jua h LEU 37 Ca 0.31 -0.45 0.34 0.00 0.09 0.00 0.00 57.88 58.17 2jua h LEU 37 Cb 0.50 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 2jua h LEU 37 CO -0.50 0.44 0.42 1.56 0.09 0.00 0.00 178.44 180.44 2jua h GLN 38 N -0.73 0.12 0.00 1.13 4.20 -0.77 4.02 115.11 123.09 2jua h GLN 38 Ca -0.01 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2jua h GLN 38 Cb 0.55 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2jua h GLN 38 CO 0.02 0.08 -0.21 -0.91 -0.67 0.00 0.00 178.83 177.15 2jua h ASN 39 N 0.13 0.00 0.00 1.46 -0.26 -0.92 -2.96 115.58 113.02 2jua h ASN 39 Ca 0.73 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 56.41 2jua h ASN 39 Cb 1.74 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.99 2jua h ASN 39 CO -0.73 0.21 -0.53 0.58 -1.06 0.00 0.00 177.43 175.89 2jua h VAL 40 N 0.00 0.40 -0.96 2.81 2.07 0.77 -3.21 116.25 118.12 2jua h VAL 40 Ca -0.00 -1.42 0.31 0.00 0.82 0.00 0.00 66.70 66.41 2jua h VAL 40 Cb 0.74 0.87 -0.16 0.00 -1.52 0.00 0.00 31.29 31.22 2jua h VAL 40 CO 0.03 0.13 0.37 0.40 0.02 0.00 0.00 177.57 178.52 2jua h ILE 41 N -1.00 0.19 -0.26 4.57 2.04 0.08 2.62 117.51 125.74 2jua h ILE 41 Ca -0.08 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2jua h ILE 41 Cb 0.64 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2jua h ILE 41 CO -0.05 0.03 -0.02 -0.08 0.00 0.00 0.00 178.15 178.02 2jua h GLU 42 N 0.16 0.40 -0.11 2.37 4.57 -1.66 -1.74 114.58 118.57 2jua h GLU 42 Ca 0.68 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.80 2jua h GLU 42 Cb 1.56 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 2jua h GLU 42 CO -0.71 0.45 0.02 0.22 -1.18 0.00 0.00 179.01 177.81 2jua h ASP 43 N 0.39 0.00 -0.04 1.04 3.58 0.46 0.18 116.42 122.02 2jua h ASP 43 Ca 0.09 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2jua h ASP 43 Cb 0.30 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2jua h ASP 43 CO 0.01 0.02 -0.00 0.40 -2.88 0.00 0.00 179.24 176.79 2jua h ILE 44 N 0.07 0.97 -0.91 2.25 2.04 -0.93 0.30 117.51 121.30 2jua h ILE 44 Ca 0.05 -0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.14 2jua h ILE 44 Cb 0.04 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2jua h ILE 44 CO -0.07 0.00 0.62 -0.74 0.00 0.00 0.00 178.15 177.96 2jua h HIS 45 N 0.01 0.34 -0.00 1.37 2.76 -0.85 1.18 115.15 119.96 2jua h HIS 45 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jua h HIS 45 Cb 0.03 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2jua h HIS 45 CO -0.10 0.08 -0.20 -0.25 -1.30 0.00 0.00 177.93 176.16 2jua n ASP 46 N -4.43 0.66 0.22 3.26 8.00 0.01 -3.67 116.55 120.60 2jua n ASP 46 Ca 0.19 -0.61 0.12 0.00 0.71 0.00 0.00 54.79 55.21 2jua n ASP 46 Cb 0.81 0.02 0.33 0.00 -0.02 0.00 0.00 41.12 42.26 2jua n ASP 46 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2jua h PHE 47 N 0.72 0.00 0.02 1.24 3.04 0.34 -2.94 116.94 119.36 2jua h PHE 47 Ca 0.00 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.71 2jua h PHE 47 Cb 0.44 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 2jua h PHE 47 CO 0.00 0.10 -1.22 0.52 -2.02 0.00 0.00 178.31 175.69 2jua h MET 48 N 0.00 0.04 0.52 1.11 0.00 -1.62 -3.15 114.93 111.82 2jua h MET 48 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 59.70 59.61 2jua h MET 48 Cb 0.88 0.02 0.01 0.00 0.00 0.00 0.00 31.60 32.51 2jua h MET 48 CO 0.01 0.91 -0.25 1.96 0.00 0.00 0.00 176.91 179.54 2jua h GLN 49 N 0.01 -0.67 0.00 1.72 4.20 -1.70 -2.79 115.11 115.88 2jua h GLN 49 Ca -0.10 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2jua h GLN 49 Cb 1.86 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.79 2jua h GLN 49 CO 0.13 -0.45 0.20 0.78 -0.67 0.00 0.00 178.83 178.82 2jua h GLY 50 N -1.12 0.00 -0.04 3.46 0.00 -1.67 -3.44 103.07 100.26 2jua h GLY 50 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2jua h GLY 50 CO 0.12 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.25 2jua n GLY 51 N -1.27 0.18 0.00 4.60 0.00 -1.06 -4.37 105.19 103.28 2jua n GLY 51 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.11 -0.57 2.74 -0.02 0.00 -1.24 -5.04 105.19 101.17 2jua n GLY 52 Ca -0.01 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 7.41 0.00 1.61 7.64 -1.26 -4.73 113.62 124.29 2jua n SER 53 Ca 0.00 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.21 2jua n SER 53 Cb 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 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 -0.06 -0.13 0.10 0.23 0.00 -1.26 0.17 105.19 104.23 2jua n GLY 54 Ca 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 2jua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jua n GLY 55 N -1.06 -0.86 0.11 -0.02 0.00 -1.26 -3.63 105.19 98.47 2jua n GLY 55 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2jua n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jua h LYS 56 N 0.02 0.00 0.54 1.61 1.79 0.13 -3.34 116.57 117.31 2jua h LYS 56 Ca -0.34 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.10 2jua h LYS 56 Cb 2.03 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.69 2jua h LYS 56 CO 0.08 0.55 -0.26 1.25 -1.08 0.00 0.00 179.45 179.99 2jua h LEU 57 N 0.00 -0.62 0.00 2.94 6.46 -1.57 -2.17 115.31 120.36 2jua h LEU 57 Ca -0.06 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2jua h LEU 57 Cb 1.56 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 2jua h LEU 57 CO 0.08 -0.27 0.32 0.00 -0.62 0.00 0.00 178.44 177.94 2jua n GLN 58 N -4.91 0.00 -0.00 1.25 3.00 -1.24 -0.43 117.38 115.05 2jua n GLN 58 Ca -0.09 0.14 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 2jua n GLN 58 Cb 0.29 -1.82 -0.03 0.00 0.00 0.00 0.00 30.24 28.68 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 -0.11 0.00 -1.09 4.57 -1.51 -3.28 114.58 113.16 2jua h GLU 59 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2jua h GLU 59 Cb 0.64 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2jua h GLU 59 CO 0.00 0.08 -0.08 0.00 -1.18 0.00 0.00 179.01 177.82 2jua h MET 60 N -1.01 0.00 -0.94 1.92 -0.00 -0.75 -2.97 114.93 111.18 2jua h MET 60 Ca -0.01 0.00 0.31 0.00 -0.00 0.00 0.00 59.70 60.00 2jua h MET 60 Cb 0.24 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 31.66 2jua h MET 60 CO 0.02 0.08 0.22 -0.12 -0.00 0.00 0.00 176.91 177.11 2jua n MET 61 N -3.32 -0.07 -0.18 -0.10 0.00 -0.68 0.27 117.12 113.05 2jua n MET 61 Ca -0.01 1.36 -0.10 0.00 0.00 0.00 0.00 57.70 58.96 2jua n MET 61 Cb 0.27 -2.28 0.01 0.00 0.00 0.00 0.00 33.22 31.23 2jua n MET 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2jua h LYS 62 N 0.00 0.94 -0.27 2.12 1.57 -1.69 0.19 116.57 119.43 2jua h LYS 62 Ca 0.66 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 59.01 2jua h LYS 62 Cb 1.55 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2jua h LYS 62 CO -0.82 0.97 -0.34 0.93 -0.57 0.00 0.00 179.45 179.62 2jua h GLU 63 N 0.81 0.58 0.35 3.15 5.08 0.37 -1.51 114.58 123.41 2jua h GLU 63 Ca 0.14 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2jua h GLU 63 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jua h GLU 63 CO 0.03 0.84 -0.17 0.35 -1.00 0.00 0.00 179.01 179.06 2jua h PHE 64 N 0.49 -0.44 0.00 4.33 3.04 0.12 -2.81 116.94 121.67 2jua h PHE 64 Ca 0.05 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2jua h PHE 64 Cb 0.82 0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.48 2jua h PHE 64 CO 0.03 -0.13 0.00 0.94 -2.02 0.00 0.00 178.31 177.14 2jua n GLN 65 N -5.11 0.01 0.02 1.11 -0.06 0.63 -0.94 117.38 113.03 2jua n GLN 65 Ca -0.08 0.38 -0.11 0.00 -2.00 0.00 0.00 57.00 55.18 2jua n GLN 65 Cb 0.26 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.81 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 0.08 0.06 3.69 1.08 -1.02 -3.34 115.11 115.66 2jua h GLN 66 Ca 0.00 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 2jua h GLN 66 Cb 0.01 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2jua h GLN 66 CO 0.00 0.81 -0.82 0.28 -0.95 0.00 0.00 178.83 178.15 2jua h VAL 67 N 0.02 1.34 -0.96 -0.54 2.07 -0.86 -2.87 116.25 114.45 2jua h VAL 67 Ca -0.23 -2.36 0.30 0.00 0.82 0.00 0.00 66.70 65.23 2jua h VAL 67 Cb 1.97 2.92 -0.18 0.00 -1.52 0.00 0.00 31.29 34.48 2jua h VAL 67 CO 0.11 0.59 0.16 -0.11 0.02 0.00 0.00 177.57 178.34 2jua n LEU 68 N -4.28 0.01 0.03 2.57 -0.00 -0.66 0.50 117.00 115.17 2jua n LEU 68 Ca -0.20 1.62 -0.11 0.00 -0.00 0.00 0.00 56.01 57.33 2jua n LEU 68 Cb 0.71 -0.64 -0.13 0.00 -0.00 0.00 0.00 43.42 43.35 2jua n LEU 68 CO 0.36 -1.69 -0.24 -0.78 -0.00 0.00 0.00 177.39 175.03 2jua h ASP 69 N 0.00 0.13 0.95 1.96 1.82 -1.68 -3.23 116.42 116.37 2jua h ASP 69 Ca 0.65 -0.19 -0.05 0.00 -0.39 0.00 0.00 57.03 57.05 2jua h ASP 69 Cb 1.46 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 41.44 2jua h ASP 69 CO -0.86 1.16 -0.49 -0.08 -1.61 0.00 0.00 179.24 177.36 2jua h GLU 70 N 0.02 -1.27 -0.45 0.28 4.57 0.30 -2.60 114.58 115.43 2jua h GLU 70 Ca -0.18 0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2jua h GLU 70 Cb 1.93 0.29 -0.05 0.00 -0.16 0.00 0.00 28.75 30.77 2jua h GLU 70 CO 0.12 -0.85 0.19 0.82 -1.18 0.00 0.00 179.01 178.12 2jua h ILE 71 N -1.32 0.91 -0.88 2.32 2.04 -1.45 -1.69 117.51 117.44 2jua h ILE 71 Ca -0.13 -0.13 0.21 0.00 1.00 0.00 0.00 64.86 65.80 2jua h ILE 71 Cb 1.03 0.49 -0.16 0.00 -0.74 0.00 0.00 36.82 37.43 2jua h ILE 71 CO 0.19 0.07 -0.07 0.50 0.00 0.00 0.00 178.15 178.84 2jua h LYS 72 N 0.39 0.04 -0.82 2.37 3.64 -1.54 1.76 116.57 122.39 2jua h LYS 72 Ca 0.20 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.73 2jua h LYS 72 Cb 0.16 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2jua h LYS 72 CO -0.18 0.02 0.54 0.37 -2.27 0.00 0.00 179.45 177.93 2jua h GLN 73 N 0.04 0.54 -0.60 1.90 5.75 -0.91 0.81 115.11 122.64 2jua h GLN 73 Ca 0.48 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.98 2jua h GLN 73 Cb 0.86 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2jua h GLN 73 CO -0.84 0.36 0.40 1.96 -2.65 0.00 0.00 178.83 178.05 2jua h GLN 74 N 0.56 0.68 0.00 1.69 1.08 0.27 -1.28 115.11 118.11 2jua h GLN 74 Ca 0.41 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2jua h GLN 74 Cb 0.78 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2jua h GLN 74 CO -0.16 0.45 0.53 1.28 -0.95 0.00 0.00 178.83 179.98 2jua n LEU 75 N -4.46 0.13 -3.38 1.46 7.99 0.28 -3.24 117.00 115.77 2jua n LEU 75 Ca 0.07 0.35 -0.32 0.00 -0.01 0.00 0.00 56.01 56.09 2jua n LEU 75 Cb 0.13 -0.21 -0.03 0.00 -0.11 0.00 0.00 43.42 43.21 2jua n LEU 75 CO 0.35 -0.39 2.44 1.67 -1.51 0.00 0.00 177.39 179.95 2jua n GLN 76 N -1.78 2.18 0.00 3.23 -0.06 -0.48 -4.59 117.38 115.87 2jua n GLN 76 Ca -0.00 -1.78 0.00 0.00 -2.00 0.00 0.00 57.00 53.22 2jua n GLN 76 Cb 0.53 -2.72 0.00 0.00 -4.06 0.00 0.00 30.24 24.00 2jua n GLN 76 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jua n GLY 77 N 4.01 -0.73 1.11 1.69 0.00 -1.20 -4.68 105.19 105.39 2jua n GLY 77 Ca 0.51 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.75 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 1.94 1.10 -0.02 0.00 -1.26 -4.54 105.19 102.41 2jua n GLY 78 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2jua n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jua n ASP 79 N 1.38 0.98 0.00 1.61 9.92 -1.26 -4.14 116.55 125.05 2jua n ASP 79 Ca 0.19 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 53.76 2jua n ASP 79 Cb 0.57 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 2jua n ASP 79 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jua n ASN 80 N 0.96 0.00 -0.01 -2.24 4.13 -1.26 0.39 115.26 117.24 2jua n ASN 80 Ca 0.00 0.21 -0.19 0.00 1.68 0.00 0.00 54.58 56.28 2jua n ASN 80 Cb 0.15 -0.21 -0.14 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 0.27 -1.00 6.41 0.87 -1.87 -3.25 113.55 114.99 2jua h SER 81 Ca 0.00 -0.90 0.18 0.00 -1.23 0.00 0.00 61.79 59.84 2jua h SER 81 Cb 0.29 -0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.06 2jua h SER 81 CO 0.00 1.34 0.61 -0.07 -0.53 0.00 0.00 176.83 178.19 2jua h LEU 82 N -0.59 0.77 -1.57 2.23 4.07 -0.30 0.94 115.31 120.87 2jua h LEU 82 Ca -0.16 0.09 0.30 0.00 0.08 0.00 0.00 57.88 58.19 2jua h LEU 82 Cb 1.46 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 43.10 2jua h LEU 82 CO 0.05 0.29 1.00 -0.74 -1.08 0.00 0.00 178.44 177.96 2jua h HIS 83 N 0.76 0.00 0.00 1.13 2.76 -1.56 2.81 115.15 121.06 2jua h HIS 83 Ca 0.56 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.36 2jua h HIS 83 Cb 0.88 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.78 2jua h HIS 83 CO -0.00 0.00 -2.34 0.09 -1.30 0.00 0.00 177.93 174.38 2jua n ASN 84 N -3.59 0.56 -0.05 3.26 3.02 0.32 -4.10 115.26 114.68 2jua n ASN 84 Ca 0.22 0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.58 2jua n ASN 84 Cb 1.32 0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 40.92 2jua n ASN 84 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2jua h VAL 85 N 0.00 0.97 -0.97 2.41 2.07 0.14 -3.35 116.25 117.52 2jua h VAL 85 Ca -0.53 -2.29 0.23 0.00 0.82 0.00 0.00 66.70 64.93 2jua h VAL 85 Cb 2.15 2.51 -0.12 0.00 -1.52 0.00 0.00 31.29 34.31 2jua h VAL 85 CO 0.01 0.56 0.55 -0.74 0.02 0.00 0.00 177.57 177.97 2jua h HIS 86 N -0.60 0.94 -0.02 1.57 -0.00 0.43 1.50 115.15 118.98 2jua h HIS 86 Ca -0.32 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2jua h HIS 86 Cb 1.55 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2jua h HIS 86 CO 0.12 0.07 0.06 1.49 -0.00 0.00 0.00 177.93 179.66 2jua h GLU 87 N 0.57 0.00 0.23 5.26 4.81 -1.69 -2.89 114.58 120.88 2jua h GLU 87 Ca 0.61 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.83 2jua h GLU 87 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2jua h GLU 87 CO -0.47 0.00 -0.11 -0.91 -0.73 0.00 0.00 179.01 176.79 2jua h ASN 88 N 0.00 -0.26 -0.79 1.04 2.35 0.20 -2.97 115.58 115.15 2jua h ASN 88 Ca 0.01 0.01 0.12 0.00 -0.55 0.00 0.00 56.30 55.89 2jua h ASN 88 Cb 0.12 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.43 2jua h ASN 88 CO -0.00 -0.18 -0.32 -0.38 -1.65 0.00 0.00 177.43 174.90 2jua n ILE 89 N -2.87 -0.42 -0.31 2.81 5.41 -1.09 0.15 119.36 123.04 2jua n ILE 89 Ca -0.04 1.85 0.03 0.00 1.00 0.00 0.00 62.75 65.59 2jua n ILE 89 Cb 0.12 -2.44 0.10 0.00 -0.71 0.00 0.00 39.64 36.71 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 -0.01 0.15 0.38 3.64 -1.57 1.93 116.57 121.09 2jua h LYS 90 Ca 0.26 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.31 2jua h LYS 90 Cb 0.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jua h LYS 90 CO -0.78 -0.01 -1.70 0.93 -2.27 0.00 0.00 179.45 175.63 2jua h GLU 91 N -0.01 0.31 0.71 1.90 4.39 0.79 -3.03 114.58 119.65 2jua h GLU 91 Ca 0.40 -0.53 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 2jua h GLU 91 Cb 0.63 0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2jua h GLU 91 CO -0.89 1.20 -0.34 0.82 -1.16 0.00 0.00 179.01 178.63 2jua h ILE 92 N 0.09 0.11 -0.86 3.13 1.08 0.28 0.83 117.51 122.17 2jua h ILE 92 Ca -0.31 -0.26 0.11 0.00 -0.39 0.00 0.00 64.86 64.01 2jua h ILE 92 Cb 2.06 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 35.88 2jua h ILE 92 CO 0.16 0.01 0.49 0.15 -0.69 0.00 0.00 178.15 178.27 2jua h PHE 93 N -1.19 0.89 0.00 1.37 3.57 0.28 0.54 116.94 122.40 2jua h PHE 93 Ca -0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2jua h PHE 93 Cb 0.75 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2jua h PHE 93 CO 0.00 0.33 0.00 1.58 -2.23 0.00 0.00 178.31 177.99 2jua n HIS 94 N -4.75 0.00 0.08 0.41 -0.00 -1.14 -2.97 115.22 106.84 2jua n HIS 94 Ca 0.15 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.21 2jua n HIS 94 Cb 0.32 -0.35 -0.13 0.00 -0.12 0.00 0.00 29.99 29.71 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 0.25 0.39 1.57 3.86 0.26 -3.29 115.15 118.19 2jua h HIS 95 Ca 0.00 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.01 2jua h HIS 95 Cb 0.29 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2jua h HIS 95 CO 0.00 1.15 -0.19 1.25 0.86 0.00 0.00 177.93 181.00 2jua h LEU 96 N 0.04 -0.44 0.00 2.43 6.46 -1.40 -1.88 115.31 120.51 2jua h LEU 96 Ca -0.09 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2jua h LEU 96 Cb 1.89 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.93 2jua h LEU 96 CO 0.16 -0.03 0.16 1.21 -0.62 0.00 0.00 178.44 179.32 2jua n GLU 97 N -5.16 0.00 -0.04 1.25 2.13 -1.25 0.65 120.64 118.22 2jua n GLU 97 Ca -0.09 0.16 -0.21 0.00 0.66 0.00 0.00 57.16 57.68 2jua n GLU 97 Cb 0.28 -1.66 -0.13 0.00 0.27 0.00 0.00 31.44 30.20 2jua n GLU 97 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jua n GLU 98 N -1.07 0.71 0.00 5.31 1.02 -0.74 -2.29 120.64 123.59 2jua n GLU 98 Ca 0.00 0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.44 2jua n GLU 98 Cb 0.16 -1.66 0.19 0.00 -0.02 0.00 0.00 31.44 30.11 2jua n GLU 98 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jua n LEU 99 N -3.55 0.00 -0.01 -4.62 4.77 0.21 -2.51 117.00 111.29 2jua n LEU 99 Ca -0.36 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 2jua n LEU 99 Cb 0.99 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 42.02 2jua n LEU 99 CO 0.35 -0.04 -0.58 1.33 -1.33 0.00 0.00 177.39 177.12 2jua n VAL 100 N -1.06 0.13 -0.49 4.08 0.24 -1.17 -4.63 118.33 115.44 2jua n VAL 100 Ca 0.04 -0.05 0.43 0.00 -2.04 0.00 0.00 64.34 62.73 2jua n VAL 100 Cb 0.03 -0.60 0.78 0.00 -1.47 0.00 0.00 33.84 32.58 2jua n VAL 100 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2jua h HIS 101 N 0.00 0.00 -0.03 6.34 2.76 -1.15 -3.50 115.15 119.57 2jua h HIS 101 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2jua h HIS 101 Cb 1.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.04 2jua h HIS 101 CO 0.00 0.00 0.00 2.89 -1.30 0.00 0.00 177.93 179.52