#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cy5 n ASP 2 N 0.00 0.23 -0.00 3.17 8.00 -1.26 -4.73 116.55 121.96 1cy5 n ASP 2 Ca 0.00 0.91 0.08 0.00 0.71 0.00 0.00 54.79 56.49 1cy5 n ASP 2 Cb 0.00 -1.27 0.48 0.00 -0.02 0.00 0.00 41.12 40.31 1cy5 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cy5 h ALA 3 N 0.95 1.87 -0.63 2.24 0.00 -1.99 -1.38 119.26 120.32 1cy5 h ALA 3 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1cy5 h ALA 3 Cb 1.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1cy5 h ALA 3 CO 0.53 0.07 0.33 -0.22 0.00 0.00 0.00 179.25 179.96 1cy5 h LYS 4 N 0.43 0.89 -0.12 0.00 3.64 -1.90 0.30 116.57 119.82 1cy5 h LYS 4 Ca 0.18 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1cy5 h LYS 4 Cb 0.18 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1cy5 h LYS 4 CO -0.04 0.69 -0.15 0.00 -2.27 0.00 0.00 179.45 177.68 1cy5 h ALA 5 N 1.16 0.17 -0.48 5.00 0.00 -1.39 -2.21 119.26 121.50 1cy5 h ALA 5 Ca 0.22 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1cy5 h ALA 5 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1cy5 h ALA 5 CO -0.03 0.06 0.28 -0.09 0.00 0.00 0.00 179.25 179.47 1cy5 h ARG 6 N -0.10 0.55 -0.10 0.00 2.43 -1.01 -1.78 114.38 114.37 1cy5 h ARG 6 Ca 0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1cy5 h ARG 6 Cb 0.69 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1cy5 h ARG 6 CO 0.04 0.36 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.84 1cy5 h ASN 7 N 0.56 0.13 -0.19 -3.80 -0.26 -0.41 -1.55 115.58 110.06 1cy5 h ASN 7 Ca 0.20 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1cy5 h ASN 7 Cb 0.03 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1cy5 h ASN 7 CO -0.10 0.26 -0.08 0.00 -1.06 0.00 0.00 177.43 176.45 1cy5 h LEU 9 N 0.09 0.23 -0.62 0.00 3.38 -1.07 -2.55 115.31 114.76 1cy5 h LEU 9 Ca 0.04 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1cy5 h LEU 9 Cb 0.56 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1cy5 h LEU 9 CO 0.03 0.15 0.25 -0.07 0.09 0.00 0.00 178.44 178.89 1cy5 h LEU 10 N 0.40 0.84 -1.47 1.67 3.38 -1.16 -0.90 115.31 118.07 1cy5 h LEU 10 Ca 0.27 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1cy5 h LEU 10 Cb 0.29 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1cy5 h LEU 10 CO -0.26 0.78 0.46 -0.61 0.09 0.00 0.00 178.44 178.90 1cy5 h GLN 11 N 0.86 0.59 -0.21 1.13 4.15 -0.81 -2.95 115.11 117.86 1cy5 h GLN 11 Ca 0.21 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1cy5 h GLN 11 Cb 0.19 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1cy5 h GLN 11 CO -0.02 0.39 0.00 0.72 -1.93 0.00 0.00 178.83 177.99 1cy5 n HIS 12 N -4.49 0.45 -0.08 3.99 8.25 -0.99 -4.75 115.22 117.61 1cy5 n HIS 12 Ca 0.11 -0.66 -0.07 0.00 -0.26 0.00 0.00 57.72 56.84 1cy5 n HIS 12 Cb 0.33 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 1cy5 n HIS 12 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1cy5 h ARG 13 N 1.33 0.16 -0.61 -0.41 2.43 -0.99 -1.60 114.38 114.68 1cy5 h ARG 13 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1cy5 h ARG 13 Cb 0.91 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 1cy5 h ARG 13 CO 0.06 0.10 0.26 1.49 -1.51 0.00 0.00 179.97 180.37 1cy5 h GLU 14 N 0.16 0.90 -0.42 0.20 4.81 -1.85 -1.31 114.58 117.07 1cy5 h GLU 14 Ca 0.13 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1cy5 h GLU 14 Cb 0.14 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1cy5 h GLU 14 CO -0.18 0.76 0.08 0.00 -0.73 0.00 0.00 179.01 178.94 1cy5 h ALA 15 N 1.10 0.55 -0.39 2.92 0.00 -1.83 -0.87 119.26 120.74 1cy5 h ALA 15 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1cy5 h ALA 15 Cb 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1cy5 h ALA 15 CO -0.02 0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.53 1cy5 h LEU 16 N 0.54 0.08 -0.75 0.00 3.38 -0.97 -2.30 115.31 115.30 1cy5 h LEU 16 Ca 0.13 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1cy5 h LEU 16 Cb 0.36 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1cy5 h LEU 16 CO 0.01 0.08 -0.62 -0.33 0.09 0.00 0.00 178.44 177.67 1cy5 h GLU 17 N 0.25 0.03 -0.79 1.13 5.08 -1.13 -2.44 114.58 116.71 1cy5 h GLU 17 Ca 0.19 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1cy5 h GLU 17 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1cy5 h GLU 17 CO -0.22 0.64 0.40 -0.22 -1.00 0.00 0.00 179.01 178.61 1cy5 h LYS 18 N 0.02 1.13 0.00 2.33 3.64 -0.60 -3.37 116.57 119.72 1cy5 h LYS 18 Ca -0.01 -0.16 -0.30 0.00 -1.27 0.00 0.00 60.65 58.92 1cy5 h LYS 18 Cb 1.09 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1cy5 h LYS 18 CO 0.08 0.86 -2.11 -0.25 -2.27 0.00 0.00 179.45 175.76 1cy5 n ASP 19 N -4.38 1.72 -4.68 4.20 10.43 -1.02 -4.91 116.55 117.91 1cy5 n ASP 19 Ca 0.07 -0.05 -0.42 0.00 2.57 0.00 0.00 54.79 56.96 1cy5 n ASP 19 Cb 0.12 0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.38 1cy5 n ASP 19 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1cy5 s ILE 20 N -2.39 4.20 -0.02 0.53 1.01 -0.93 -5.02 121.20 118.58 1cy5 s ILE 20 Ca -0.17 1.52 -0.25 0.00 0.00 0.00 0.00 60.65 61.75 1cy5 s ILE 20 Cb 0.06 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1cy5 s ILE 20 CO 0.56 -0.03 0.78 -0.54 0.00 0.00 0.00 174.94 175.71 1cy5 s LYS 21 N 2.53 4.48 0.21 2.79 1.02 -1.26 -4.65 119.74 124.87 1cy5 s LYS 21 Ca 0.57 1.06 0.18 0.00 0.02 0.00 0.00 55.97 57.79 1cy5 s LYS 21 Cb -0.25 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 1cy5 s LYS 21 CO 0.21 0.11 1.19 1.79 -0.92 0.00 0.00 175.35 177.72 1cy5 h THR 22 N 4.57 0.52 -0.11 2.17 1.35 -1.93 -3.40 112.91 116.08 1cy5 h THR 22 Ca -0.42 -1.83 -0.01 0.00 -0.55 0.00 0.00 66.41 63.60 1cy5 h THR 22 Cb 1.20 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1cy5 h THR 22 CO 0.74 0.30 0.04 -1.28 -0.25 0.00 0.00 175.52 175.07 1cy5 h SER 23 N 0.00 0.15 -0.14 5.36 0.87 -1.99 -0.66 113.55 117.14 1cy5 h SER 23 Ca -0.06 -0.16 -0.20 0.00 -1.23 0.00 0.00 61.79 60.14 1cy5 h SER 23 Cb 1.36 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1cy5 h SER 23 CO 0.04 0.27 -0.68 1.88 -0.53 0.00 0.00 176.83 177.81 1cy5 h TYR 24 N 0.02 0.96 -0.56 2.24 -1.99 -1.98 -2.37 116.97 113.29 1cy5 h TYR 24 Ca 0.04 -0.42 0.08 0.00 2.00 0.00 0.00 58.73 60.43 1cy5 h TYR 24 Cb 0.17 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 38.68 1cy5 h TYR 24 CO -0.02 1.24 0.21 0.82 -0.00 0.00 0.00 178.16 180.41 1cy5 h ILE 25 N 0.41 0.80 -0.51 -2.88 2.04 -1.75 -1.58 117.51 114.04 1cy5 h ILE 25 Ca -0.04 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1cy5 h ILE 25 Cb 1.31 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1cy5 h ILE 25 CO 0.14 0.07 -0.17 0.24 0.00 0.00 0.00 178.15 178.43 1cy5 h MET 26 N 0.39 1.01 -0.15 2.37 2.86 -0.99 -1.82 114.93 118.60 1cy5 h MET 26 Ca 0.28 -0.41 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 1cy5 h MET 26 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1cy5 h MET 26 CO -0.27 1.09 -0.22 -0.44 1.06 0.00 0.00 176.91 178.13 1cy5 h ASP 27 N 0.88 0.25 -0.25 1.22 3.32 -1.24 0.52 116.42 121.12 1cy5 h ASP 27 Ca 0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1cy5 h ASP 27 Cb 0.75 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1cy5 h ASP 27 CO 0.06 0.48 0.14 -0.74 -1.72 0.00 0.00 179.24 177.46 1cy5 h HIS 28 N 0.24 0.35 -0.22 4.55 2.76 -0.89 -0.33 115.15 121.60 1cy5 h HIS 28 Ca 0.04 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.08 1cy5 h HIS 28 Cb 0.52 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1cy5 h HIS 28 CO 0.01 0.29 -0.40 0.52 -1.30 0.00 0.00 177.93 177.06 1cy5 h MET 29 N 0.30 0.51 -0.38 5.26 2.86 -0.67 -1.14 114.93 121.68 1cy5 h MET 29 Ca 0.09 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1cy5 h MET 29 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1cy5 h MET 29 CO -0.01 0.83 0.04 0.82 1.06 0.00 0.00 176.91 179.64 1cy5 h ILE 30 N 0.42 1.25 -0.93 -1.22 2.04 -0.80 -0.23 117.51 118.04 1cy5 h ILE 30 Ca 0.04 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1cy5 h ILE 30 Cb 0.88 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1cy5 h ILE 30 CO 0.07 0.30 0.60 -1.28 0.00 0.00 0.00 178.15 177.85 1cy5 h SER 31 N 0.48 1.08 -0.01 1.72 0.87 -0.87 -2.06 113.55 114.76 1cy5 h SER 31 Ca 0.11 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1cy5 h SER 31 Cb 0.40 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1cy5 h SER 31 CO 0.01 0.80 -0.14 0.44 -0.53 0.00 0.00 176.83 177.41 1cy5 h ASP 32 N 1.27 0.29 0.00 6.23 5.19 -0.99 -3.47 116.42 124.94 1cy5 h ASP 32 Ca 0.34 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1cy5 h ASP 32 Cb -0.12 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1cy5 h ASP 32 CO -0.07 0.47 0.00 0.61 -3.12 0.00 0.00 179.24 177.12 1cy5 n GLY 33 N -0.77 1.28 0.01 2.75 0.00 -0.25 -5.03 105.19 103.18 1cy5 n GLY 33 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1cy5 n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cy5 n PHE 34 N -1.19 0.00 -4.06 1.61 3.72 -0.33 -4.94 117.46 112.27 1cy5 n PHE 34 Ca 0.00 -0.52 -0.17 0.00 -0.05 0.00 0.00 57.45 56.71 1cy5 n PHE 34 Cb 0.00 -0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 38.33 1cy5 n PHE 34 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1cy5 s LEU 35 N -1.13 1.62 0.43 4.37 2.96 -1.21 -4.87 118.68 120.85 1cy5 s LEU 35 Ca 0.03 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1cy5 s LEU 35 Cb 0.03 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 1cy5 s LEU 35 CO 0.00 -0.01 0.68 0.42 -1.32 0.00 0.00 176.35 176.12 1cy5 s THR 36 N 0.43 4.70 0.40 3.68 -4.23 -1.26 -4.20 115.64 115.16 1cy5 s THR 36 Ca -0.05 -0.20 0.23 0.00 -1.18 0.00 0.00 61.69 60.49 1cy5 s THR 36 Cb -0.08 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.25 1cy5 s THR 36 CO -0.01 -0.61 2.01 0.16 -0.54 0.00 0.00 174.62 175.64 1cy5 h ILE 37 N 0.43 0.75 -0.18 2.99 3.07 -1.98 -1.29 117.51 121.29 1cy5 h ILE 37 Ca -0.48 -0.68 -0.17 0.00 1.55 0.00 0.00 64.86 65.08 1cy5 h ILE 37 Cb 1.22 1.41 -0.00 0.00 -0.27 0.00 0.00 36.82 39.18 1cy5 h ILE 37 CO 0.61 0.17 -0.58 0.28 -1.05 0.00 0.00 178.15 177.57 1cy5 h SER 38 N 0.00 0.67 -0.53 2.16 0.02 -1.94 -1.77 113.55 112.15 1cy5 h SER 38 Ca -0.00 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1cy5 h SER 38 Cb 0.40 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1cy5 h SER 38 CO 0.02 1.10 0.16 -0.33 -1.14 0.00 0.00 176.83 176.65 1cy5 h GLU 39 N 0.45 0.83 -0.39 3.45 5.08 -1.64 -2.44 114.58 119.92 1cy5 h GLU 39 Ca 0.00 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1cy5 h GLU 39 Cb 1.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1cy5 h GLU 39 CO 0.11 0.77 0.21 1.49 -1.00 0.00 0.00 179.01 180.59 1cy5 h GLU 40 N 0.74 0.42 -0.56 2.33 4.81 -1.17 -2.29 114.58 118.87 1cy5 h GLU 40 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1cy5 h GLU 40 Cb 0.28 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1cy5 h GLU 40 CO -0.00 0.28 0.18 1.49 -0.73 0.00 0.00 179.01 180.23 1cy5 h GLU 41 N 0.43 0.82 -0.41 1.92 4.22 -1.20 0.12 114.58 120.49 1cy5 h GLU 41 Ca 0.16 -0.14 0.01 0.00 0.08 0.00 0.00 59.36 59.46 1cy5 h GLU 41 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1cy5 h GLU 41 CO -0.09 0.71 0.27 -0.22 -2.18 0.00 0.00 179.01 177.49 1cy5 h LYS 42 N 0.81 0.53 -0.07 1.92 3.64 -0.98 -1.16 116.57 121.26 1cy5 h LYS 42 Ca 0.19 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1cy5 h LYS 42 Cb 0.22 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1cy5 h LYS 42 CO -0.01 0.35 0.04 0.28 -2.27 0.00 0.00 179.45 177.84 1cy5 h VAL 43 N 0.55 1.07 -0.16 2.00 2.07 -0.95 -2.94 116.25 117.90 1cy5 h VAL 43 Ca 0.15 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1cy5 h VAL 43 Cb -0.06 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1cy5 h VAL 43 CO -0.04 0.06 0.13 -0.09 0.02 0.00 0.00 177.57 177.65 1cy5 h ARG 44 N 0.03 0.00 0.00 1.57 9.65 -0.44 -1.97 114.38 123.22 1cy5 h ARG 44 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1cy5 h ARG 44 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1cy5 h ARG 44 CO -0.00 0.00 0.00 -0.97 2.80 0.00 0.00 179.97 181.80 1cy5 h ASN 45 N 0.00 0.00 -3.95 -3.80 -1.24 -1.02 -3.45 115.58 102.12 1cy5 h ASN 45 Ca 0.07 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.57 1cy5 h ASN 45 Cb 0.33 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.44 1cy5 h ASN 45 CO -0.00 0.00 0.53 -1.61 -1.29 0.00 0.00 177.43 175.06 1cy5 s GLU 46 N -3.42 4.00 -0.11 6.67 0.41 -0.74 -4.93 118.70 120.57 1cy5 s GLU 46 Ca 0.04 1.91 0.14 0.00 -0.41 0.00 0.00 54.97 56.65 1cy5 s GLU 46 Cb 0.09 -2.67 0.61 0.00 -1.78 0.00 0.00 34.13 30.38 1cy5 s GLU 46 CO 0.54 -0.39 1.49 -0.35 -0.49 0.00 0.00 175.26 176.06 1cy5 n PRO 47 N 0.02 3.43 -3.79 0.39 -0.04 -1.26 -4.69 135.00 129.06 1cy5 n PRO 47 Ca 0.04 -2.40 -0.10 0.00 -0.04 0.00 0.00 63.50 61.01 1cy5 n PRO 47 Cb 0.46 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1cy5 n PRO 47 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cy5 s THR 48 N -1.91 0.08 0.14 0.52 -4.23 -1.26 -5.02 115.64 103.96 1cy5 s THR 48 Ca 0.43 -0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 59.79 1cy5 s THR 48 Cb 0.28 -1.44 -0.00 0.00 1.34 0.00 0.00 72.50 72.68 1cy5 s THR 48 CO 0.19 -0.38 1.72 -0.61 -0.54 0.00 0.00 174.62 175.00 1cy5 h GLN 49 N 2.50 0.56 -0.94 3.99 4.15 -1.96 0.17 115.11 123.57 1cy5 h GLN 49 Ca -0.33 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1cy5 h GLN 49 Cb 1.23 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 1cy5 h GLN 49 CO 0.49 0.48 0.60 0.37 -1.93 0.00 0.00 178.83 178.84 1cy5 h GLN 50 N 0.50 1.26 -0.08 1.69 -0.00 -1.89 -1.30 115.11 115.28 1cy5 h GLN 50 Ca 0.14 -0.09 -0.15 0.00 -0.00 0.00 0.00 58.65 58.55 1cy5 h GLN 50 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 27.48 27.30 1cy5 h GLN 50 CO -0.02 0.85 -0.59 1.96 0.00 0.00 0.00 178.83 181.03 1cy5 h GLN 51 N 1.29 0.28 -0.45 1.69 4.20 -1.73 0.12 115.11 120.51 1cy5 h GLN 51 Ca 0.34 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1cy5 h GLN 51 Cb -0.11 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1cy5 h GLN 51 CO -0.07 0.79 0.08 0.00 -0.67 0.00 0.00 178.83 178.96 1cy5 h ARG 52 N 0.21 0.74 -0.60 1.46 3.08 -0.34 -1.43 114.38 117.50 1cy5 h ARG 52 Ca -0.00 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 1cy5 h ARG 52 Cb 1.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1cy5 h ARG 52 CO 0.09 0.76 0.03 0.00 -1.07 0.00 0.00 179.97 179.78 1cy5 h ALA 53 N 0.95 0.92 -0.88 0.04 0.00 -0.98 -1.28 119.26 118.03 1cy5 h ALA 53 Ca 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cy5 h ALA 53 Cb 0.37 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1cy5 h ALA 53 CO 0.01 0.65 0.57 0.00 0.00 0.00 0.00 179.25 180.48 1cy5 h ALA 54 N 1.08 1.13 -0.49 0.00 0.00 -0.67 -0.98 119.26 119.32 1cy5 h ALA 54 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1cy5 h ALA 54 Cb 0.50 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1cy5 h ALA 54 CO 0.02 0.47 0.04 1.98 0.00 0.00 0.00 179.25 181.76 1cy5 h MET 55 N 1.15 0.84 -0.35 0.00 -1.53 -0.64 -0.80 114.93 113.60 1cy5 h MET 55 Ca 0.33 -0.25 0.01 0.00 -3.44 0.00 0.00 59.70 56.35 1cy5 h MET 55 Cb -0.08 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 30.87 1cy5 h MET 55 CO -0.09 0.86 0.22 1.25 0.14 0.00 0.00 176.91 179.29 1cy5 h LEU 56 N 0.71 0.37 -0.66 3.39 5.85 -0.87 -0.25 115.31 123.85 1cy5 h LEU 56 Ca 0.14 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1cy5 h LEU 56 Cb 0.46 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1cy5 h LEU 56 CO 0.02 0.27 -0.03 0.40 -0.34 0.00 0.00 178.44 178.76 1cy5 h ILE 57 N 0.45 1.26 -0.66 4.05 1.08 -1.06 0.61 117.51 123.24 1cy5 h ILE 57 Ca 0.13 -1.16 0.09 0.00 -0.39 0.00 0.00 64.86 63.53 1cy5 h ILE 57 Cb -0.02 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 34.50 1cy5 h ILE 57 CO -0.05 0.42 0.30 0.50 -0.69 0.00 0.00 178.15 178.63 1cy5 h LYS 58 N 0.92 0.51 -0.25 2.37 3.64 -0.78 -0.64 116.57 122.35 1cy5 h LYS 58 Ca 0.16 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1cy5 h LYS 58 Cb 0.57 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1cy5 h LYS 58 CO 0.03 0.34 -0.00 0.52 -2.27 0.00 0.00 179.45 178.07 1cy5 h MET 59 N 0.53 0.44 -0.77 1.90 2.86 -0.15 -3.14 114.93 116.59 1cy5 h MET 59 Ca 0.33 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1cy5 h MET 59 Cb 0.36 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1cy5 h MET 59 CO -0.28 0.62 0.48 0.82 1.06 0.00 0.00 176.91 179.61 1cy5 h ILE 60 N 0.21 1.21 -0.01 -1.22 2.04 -0.52 -0.94 117.51 118.28 1cy5 h ILE 60 Ca 0.07 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1cy5 h ILE 60 Cb 0.42 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1cy5 h ILE 60 CO 0.01 0.22 0.14 -0.07 0.00 0.00 0.00 178.15 178.45 1cy5 h LEU 61 N 1.06 0.00 -2.11 1.44 3.38 -1.07 -0.19 115.31 117.82 1cy5 h LEU 61 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1cy5 h LEU 61 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1cy5 h LEU 61 CO -0.06 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.76 1cy5 n LYS 62 N -3.06 2.40 -1.49 1.13 2.85 -0.36 -4.80 118.16 114.83 1cy5 n LYS 62 Ca -0.02 -2.09 -0.07 0.00 -1.05 0.00 0.00 58.31 55.08 1cy5 n LYS 62 Cb 0.20 -1.49 0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1cy5 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1cy5 n LYS 63 N 1.37 0.68 -2.44 -1.58 5.02 -0.08 -4.86 118.16 116.27 1cy5 n LYS 63 Ca 0.17 -0.97 -0.15 0.00 -2.02 0.00 0.00 58.31 55.35 1cy5 n LYS 63 Cb 0.59 -0.13 0.06 0.00 -0.02 0.00 0.00 35.03 35.52 1cy5 n LYS 63 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1cy5 n ASP 64 N -2.86 1.52 -0.36 4.39 5.68 -1.26 -1.84 116.55 121.82 1cy5 n ASP 64 Ca 0.05 -2.13 0.01 0.00 -0.50 0.00 0.00 54.79 52.23 1cy5 n ASP 64 Cb 0.19 -0.35 0.17 0.00 -1.14 0.00 0.00 41.12 39.99 1cy5 n ASP 64 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1cy5 h ASN 65 N 0.00 1.06 0.22 -1.12 2.35 -1.98 -1.89 115.58 114.21 1cy5 h ASN 65 Ca -0.21 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 1cy5 h ASN 65 Cb 0.94 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1cy5 h ASN 65 CO 0.29 0.71 -0.33 -2.24 -1.65 0.00 0.00 177.43 174.20 1cy5 h ASP 66 N 1.22 0.18 -0.01 5.81 2.03 -2.00 -2.09 116.42 121.56 1cy5 h ASP 66 Ca 0.41 -0.06 -0.20 0.00 -0.73 0.00 0.00 57.03 56.44 1cy5 h ASP 66 Cb 0.07 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1cy5 h ASP 66 CO -0.14 0.51 -0.72 0.28 -1.03 0.00 0.00 179.24 178.14 1cy5 h SER 67 N 0.16 0.77 -0.43 4.15 0.02 -1.72 -1.83 113.55 114.67 1cy5 h SER 67 Ca 0.02 -0.48 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1cy5 h SER 67 Cb 0.67 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1cy5 h SER 67 CO 0.05 1.26 0.21 0.22 -1.14 0.00 0.00 176.83 177.42 1cy5 h TYR 68 N 0.46 0.38 -0.59 3.45 5.03 -0.75 -0.29 116.97 124.66 1cy5 h TYR 68 Ca -0.03 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.22 1cy5 h TYR 68 Cb 1.32 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.46 1cy5 h TYR 68 CO 0.07 0.19 0.08 0.28 -1.32 0.00 0.00 178.16 177.46 1cy5 h VAL 69 N 0.42 1.25 -0.58 1.81 2.07 -1.33 0.63 116.25 120.51 1cy5 h VAL 69 Ca 0.19 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1cy5 h VAL 69 Cb 0.11 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1cy5 h VAL 69 CO -0.14 0.36 0.21 -1.28 0.02 0.00 0.00 177.57 176.75 1cy5 h SER 70 N 0.90 0.81 -0.20 0.57 0.87 -0.91 0.36 113.55 115.96 1cy5 h SER 70 Ca 0.18 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1cy5 h SER 70 Cb 0.41 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1cy5 h SER 70 CO 0.01 0.78 0.11 0.15 -0.53 0.00 0.00 176.83 177.35 1cy5 h PHE 71 N 0.80 0.21 -0.48 2.24 3.57 -0.73 -0.09 116.94 122.46 1cy5 h PHE 71 Ca 0.19 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1cy5 h PHE 71 Cb 0.23 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1cy5 h PHE 71 CO 0.01 0.13 0.18 -0.92 -2.23 0.00 0.00 178.31 175.48 1cy5 h TYR 72 N 0.24 0.31 -0.32 0.41 3.20 -0.55 -0.90 116.97 119.36 1cy5 h TYR 72 Ca 0.08 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1cy5 h TYR 72 Cb -0.01 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1cy5 h TYR 72 CO -0.08 0.11 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.48 1cy5 h ASN 73 N 0.35 0.55 -0.62 -2.11 2.35 -0.75 -1.03 115.58 114.33 1cy5 h ASN 73 Ca 0.23 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1cy5 h ASN 73 Cb 0.23 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1cy5 h ASN 73 CO -0.23 0.73 0.06 0.00 -1.65 0.00 0.00 177.43 176.34 1cy5 h ALA 74 N 1.32 0.83 -0.55 -0.83 0.00 -0.39 -0.90 119.26 118.74 1cy5 h ALA 74 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1cy5 h ALA 74 Cb 0.57 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1cy5 h ALA 74 CO 0.04 0.62 0.32 -0.07 0.00 0.00 0.00 179.25 180.16 1cy5 h LEU 75 N 0.96 0.66 -1.02 0.00 3.38 -0.74 0.13 115.31 118.68 1cy5 h LEU 75 Ca 0.18 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1cy5 h LEU 75 Cb 0.49 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1cy5 h LEU 75 CO 0.02 0.53 0.66 -0.07 0.09 0.00 0.00 178.44 179.67 1cy5 h LEU 76 N 0.73 1.12 0.00 1.67 3.38 -0.86 0.11 115.31 121.47 1cy5 h LEU 76 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1cy5 h LEU 76 Cb -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1cy5 h LEU 76 CO -0.04 0.79 -1.17 1.41 0.09 0.00 0.00 178.44 179.53 1cy5 n HIS 77 N -4.41 0.87 -1.19 1.13 8.25 -0.37 -4.28 115.22 115.22 1cy5 n HIS 77 Ca 0.13 0.26 0.07 0.00 -0.26 0.00 0.00 57.72 57.92 1cy5 n HIS 77 Cb 0.05 -0.93 0.19 0.00 1.12 0.00 0.00 29.99 30.41 1cy5 n HIS 77 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1cy5 n GLU 78 N -2.66 1.78 0.00 -0.41 -0.58 0.40 -4.94 120.64 114.22 1cy5 n GLU 78 Ca -0.02 -2.84 0.00 0.00 -0.42 0.00 0.00 57.16 53.88 1cy5 n GLU 78 Cb 0.59 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1cy5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cy5 n GLY 79 N -1.14 1.29 2.58 0.62 0.00 -1.20 -4.91 105.19 102.43 1cy5 n GLY 79 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1cy5 n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cy5 n TYR 80 N -1.42 2.20 0.26 1.61 4.01 0.37 -4.85 117.16 119.33 1cy5 n TYR 80 Ca 0.00 -2.95 0.09 0.00 -0.16 0.00 0.00 57.90 54.88 1cy5 n TYR 80 Cb 0.00 -0.24 0.67 0.00 -0.31 0.00 0.00 39.34 39.46 1cy5 n TYR 80 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1cy5 h LYS 81 N 2.81 0.00 -0.35 -0.72 1.57 -1.80 -0.15 116.57 117.93 1cy5 h LYS 81 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1cy5 h LYS 81 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1cy5 h LYS 81 CO 0.66 0.07 0.21 0.38 -0.57 0.00 0.00 179.45 180.20 1cy5 h ASP 82 N 0.00 0.41 -0.06 0.86 2.03 -1.91 -1.09 116.42 116.66 1cy5 h ASP 82 Ca -0.00 -0.05 -0.19 0.00 -0.73 0.00 0.00 57.03 56.06 1cy5 h ASP 82 Cb 0.13 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1cy5 h ASP 82 CO 0.01 0.34 -0.66 -0.07 -1.03 0.00 0.00 179.24 177.83 1cy5 h LEU 83 N 0.45 0.79 -1.19 0.15 3.38 -1.74 -2.77 115.31 114.38 1cy5 h LEU 83 Ca 0.12 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.71 1cy5 h LEU 83 Cb 0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1cy5 h LEU 83 CO -0.02 1.24 0.58 0.00 0.09 0.00 0.00 178.44 180.32 1cy5 h ALA 84 N 0.76 1.59 -0.13 1.53 0.00 -0.92 -1.81 119.26 120.27 1cy5 h ALA 84 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cy5 h ALA 84 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1cy5 h ALA 84 CO 0.13 0.25 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1cy5 h ALA 85 N 1.54 1.66 -0.18 0.00 0.00 -0.90 -0.89 119.26 120.48 1cy5 h ALA 85 Ca 0.40 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1cy5 h ALA 85 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cy5 h ALA 85 CO -0.16 0.26 -0.37 -0.07 0.00 0.00 0.00 179.25 178.91 1cy5 h LEU 86 N 0.19 0.41 0.00 0.00 3.38 -1.25 -3.23 115.31 114.81 1cy5 h LEU 86 Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1cy5 h LEU 86 Cb 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1cy5 h LEU 86 CO 0.01 0.75 -0.56 0.18 0.09 0.00 0.00 178.44 178.91 1cy5 n LEU 87 N -4.05 0.54 -0.09 1.67 4.77 -0.51 -4.44 117.00 114.89 1cy5 n LEU 87 Ca -0.01 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1cy5 n LEU 87 Cb 0.47 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1cy5 n LEU 87 CO 0.43 0.10 0.81 -0.74 -1.33 0.00 0.00 177.39 176.66 1cy5 h HIS 88 N 0.00 -0.15 0.00 -1.77 2.76 -1.23 -1.16 115.15 113.60 1cy5 h HIS 88 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1cy5 h HIS 88 Cb 0.54 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1cy5 h HIS 88 CO 0.00 -0.13 0.00 -0.25 -1.30 0.00 0.00 177.93 176.25 1cy5 n ASP 89 N -5.25 0.40 -0.36 3.26 8.00 -1.26 -1.48 116.55 119.86 1cy5 n ASP 89 Ca 0.01 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.25 1cy5 n ASP 89 Cb 0.18 -0.69 0.53 0.00 -0.02 0.00 0.00 41.12 41.12 1cy5 n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cy5 n GLY 90 N -0.13 -0.30 3.71 0.44 0.00 -0.44 -4.95 105.19 103.52 1cy5 n GLY 90 Ca 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1cy5 n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cy5 n ILE 91 N -0.21 0.01 -0.28 -0.61 5.41 -0.55 -3.48 119.36 119.66 1cy5 n ILE 91 Ca 0.17 -0.00 0.23 0.00 1.00 0.00 0.00 62.75 64.15 1cy5 n ILE 91 Cb 0.33 -1.94 0.55 0.00 -0.71 0.00 0.00 39.64 37.88 1cy5 n ILE 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1cy5 h PRO 92 N 6.72 0.31 0.00 0.38 0.11 -1.91 -3.48 132.00 134.14 1cy5 h PRO 92 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1cy5 h PRO 92 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1cy5 h PRO 92 CO 0.95 0.21 0.00 1.55 -0.21 0.00 0.00 178.00 180.50