#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ygs n ASP 2 N 0.00 3.40 -0.19 3.17 8.00 -1.26 -4.76 116.55 124.92 2ygs n ASP 2 Ca 0.00 1.14 0.14 0.00 0.71 0.00 0.00 54.79 56.78 2ygs n ASP 2 Cb 0.00 -1.61 0.47 0.00 -0.02 0.00 0.00 41.12 39.97 2ygs n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ygs h ALA 3 N 2.40 2.04 -0.46 2.24 0.00 -2.00 -0.54 119.26 122.93 2ygs h ALA 3 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ygs h ALA 3 Cb 1.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2ygs h ALA 3 CO 0.61 -0.25 0.30 0.87 0.00 0.00 0.00 179.25 180.79 2ygs h LYS 4 N 0.48 0.61 -0.19 0.00 1.57 -1.93 0.19 116.57 117.31 2ygs h LYS 4 Ca 0.39 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 2ygs h LYS 4 Cb 0.80 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2ygs h LYS 4 CO -0.14 0.42 -0.03 0.00 -0.57 0.00 0.00 179.45 179.13 2ygs h ALA 5 N 1.16 0.26 -0.38 3.86 0.00 -1.29 -1.67 119.26 121.20 2ygs h ALA 5 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2ygs h ALA 5 Cb -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2ygs h ALA 5 CO -0.04 0.01 0.16 -0.09 0.00 0.00 0.00 179.25 179.29 2ygs h ARG 6 N 0.09 0.32 -0.35 0.00 2.43 -0.94 -1.35 114.38 114.58 2ygs h ARG 6 Ca 0.05 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2ygs h ARG 6 Cb 0.45 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2ygs h ARG 6 CO 0.02 0.21 0.03 -0.91 -1.51 0.00 0.00 179.97 177.80 2ygs h ASN 7 N 0.33 0.49 -0.38 -3.80 -0.26 -0.56 -0.09 115.58 111.31 2ygs h ASN 7 Ca 0.17 -0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 2ygs h ASN 7 Cb 0.12 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 2ygs h ASN 7 CO -0.15 0.54 0.03 0.00 -1.06 0.00 0.00 177.43 176.78 2ygs h LEU 9 N 0.49 0.88 -1.11 0.00 5.85 -0.79 -2.32 115.31 118.30 2ygs h LEU 9 Ca 0.11 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2ygs h LEU 9 Cb 0.42 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2ygs h LEU 9 CO 0.01 0.89 0.26 -0.07 -0.34 0.00 0.00 178.44 179.20 2ygs h LEU 10 N 0.82 0.81 -0.70 2.25 3.38 -0.83 -0.71 115.31 120.33 2ygs h LEU 10 Ca 0.18 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2ygs h LEU 10 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ygs h LEU 10 CO 0.00 0.71 0.05 -0.61 0.09 0.00 0.00 178.44 178.68 2ygs h GLN 11 N 0.88 1.05 -0.51 1.13 4.15 -0.64 -3.15 115.11 118.02 2ygs h GLN 11 Ca 0.21 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2ygs h GLN 11 Cb 0.15 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2ygs h GLN 11 CO -0.02 1.00 0.00 0.72 -1.93 0.00 0.00 178.83 178.60 2ygs n HIS 12 N -4.20 1.19 -0.11 3.99 8.25 -0.91 -4.61 115.22 118.82 2ygs n HIS 12 Ca 0.04 -0.64 -0.06 0.00 -0.26 0.00 0.00 57.72 56.79 2ygs n HIS 12 Cb 0.32 -0.22 0.02 0.00 1.12 0.00 0.00 29.99 31.23 2ygs n HIS 12 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2ygs h ARG 13 N 3.24 0.30 -0.47 -0.41 2.43 -1.09 -1.96 114.38 116.43 2ygs h ARG 13 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2ygs h ARG 13 Cb 1.32 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 2ygs h ARG 13 CO 0.19 0.20 0.26 1.49 -1.51 0.00 0.00 179.97 180.60 2ygs h GLU 14 N 0.31 0.50 -0.75 0.20 4.22 -1.83 -0.23 114.58 117.00 2ygs h GLU 14 Ca 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 2ygs h GLU 14 Cb 0.12 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2ygs h GLU 14 CO -0.15 0.33 0.43 0.00 -2.18 0.00 0.00 179.01 177.44 2ygs h ALA 15 N 1.23 0.96 -0.08 2.92 0.00 -1.82 -2.25 119.26 120.23 2ygs h ALA 15 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ygs h ALA 15 Cb 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2ygs h ALA 15 CO -0.11 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.52 2ygs h LEU 16 N 1.03 0.14 -1.85 0.00 3.38 -0.80 -3.01 115.31 114.20 2ygs h LEU 16 Ca 0.27 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2ygs h LEU 16 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2ygs h LEU 16 CO -0.05 0.44 -0.04 -0.33 0.09 0.00 0.00 178.44 178.55 2ygs h GLU 17 N -0.17 0.04 -0.02 1.13 5.08 -0.94 -1.49 114.58 118.22 2ygs h GLU 17 Ca 0.02 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 2ygs h GLU 17 Cb 0.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2ygs h GLU 17 CO 0.01 0.09 -0.74 -0.22 -1.00 0.00 0.00 179.01 177.14 2ygs h LYS 18 N 0.04 0.12 0.00 2.33 1.63 -1.37 -3.40 116.57 115.93 2ygs h LYS 18 Ca 0.01 -0.11 -0.33 0.00 -0.85 0.00 0.00 60.65 59.37 2ygs h LYS 18 Cb 0.11 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 2ygs h LYS 18 CO 0.01 0.81 -2.21 -0.25 -3.45 0.00 0.00 179.45 174.35 2ygs n ASP 19 N -3.72 2.21 -4.78 4.20 8.00 -0.94 -5.00 116.55 116.52 2ygs n ASP 19 Ca -0.02 -0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.07 2ygs n ASP 19 Cb 0.72 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 2ygs n ASP 19 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2ygs s ILE 20 N -2.42 3.53 -0.10 0.53 -4.36 -0.61 -5.05 121.20 112.73 2ygs s ILE 20 Ca -0.29 1.22 -0.12 0.00 -0.26 0.00 0.00 60.65 61.20 2ygs s ILE 20 Cb 0.08 -3.65 -0.05 0.00 1.25 0.00 0.00 42.46 40.10 2ygs s ILE 20 CO 0.47 0.05 0.27 -0.54 0.24 0.00 0.00 174.94 175.42 2ygs s LYS 21 N -2.40 3.89 0.00 0.37 1.02 -1.26 -4.82 119.74 116.54 2ygs s LYS 21 Ca 0.57 0.10 0.11 0.00 0.02 0.00 0.00 55.97 56.77 2ygs s LYS 21 Cb -0.25 -3.29 -0.22 0.00 -0.52 0.00 0.00 37.83 33.55 2ygs s LYS 21 CO 0.31 0.55 0.83 1.79 -0.92 0.00 0.00 175.35 177.91 2ygs h THR 22 N 4.17 1.09 -0.46 2.17 1.35 -1.95 -3.40 112.91 115.89 2ygs h THR 22 Ca -0.49 -2.90 0.04 0.00 -0.55 0.00 0.00 66.41 62.52 2ygs h THR 22 Cb 1.20 2.54 -0.06 0.00 -1.73 0.00 0.00 68.15 70.09 2ygs h THR 22 CO 0.66 0.62 -0.36 0.77 -0.25 0.00 0.00 175.52 176.96 2ygs h SER 23 N 0.00 -1.27 -0.06 5.36 4.64 -1.99 0.64 113.55 120.86 2ygs h SER 23 Ca -0.21 0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 2ygs h SER 23 Cb 1.95 0.55 -0.01 0.00 -0.31 0.00 0.00 62.40 64.57 2ygs h SER 23 CO 0.09 -0.19 -0.43 1.88 -0.87 0.00 0.00 176.83 177.31 2ygs h TYR 24 N -0.11 0.72 -0.39 4.77 0.05 -2.00 -2.40 116.97 117.61 2ygs h TYR 24 Ca 0.08 -0.22 0.04 0.00 0.05 0.00 0.00 58.73 58.67 2ygs h TYR 24 Cb 0.31 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 2ygs h TYR 24 CO -0.85 0.93 0.17 0.82 -1.05 0.00 0.00 178.16 178.18 2ygs h ILE 25 N 0.49 0.94 -0.52 -2.88 2.04 -1.67 -1.63 117.51 114.28 2ygs h ILE 25 Ca 0.04 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2ygs h ILE 25 Cb 0.95 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2ygs h ILE 25 CO 0.09 0.06 0.15 0.24 0.00 0.00 0.00 178.15 178.69 2ygs h MET 26 N 0.35 0.77 -0.85 2.37 2.86 -0.77 -1.74 114.93 117.92 2ygs h MET 26 Ca 0.17 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2ygs h MET 26 Cb 0.11 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 2ygs h MET 26 CO -0.14 0.68 0.54 -0.44 1.06 0.00 0.00 176.91 178.60 2ygs h ASP 27 N 0.75 0.87 -0.22 1.22 3.32 -0.80 0.68 116.42 122.24 2ygs h ASP 27 Ca 0.17 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2ygs h ASP 27 Cb 0.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2ygs h ASP 27 CO -0.01 0.58 0.06 0.45 -1.72 0.00 0.00 179.24 178.59 2ygs h HIS 28 N 1.01 0.37 -0.35 4.55 3.86 -0.58 -1.13 115.15 122.88 2ygs h HIS 28 Ca 0.36 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.46 2ygs h HIS 28 Cb 0.10 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2ygs h HIS 28 CO -0.03 0.45 -0.06 0.52 0.86 0.00 0.00 177.93 179.67 2ygs h MET 29 N 0.18 0.58 -0.24 2.45 2.86 -0.80 0.27 114.93 120.22 2ygs h MET 29 Ca 0.07 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2ygs h MET 29 Cb 0.27 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2ygs h MET 29 CO 0.00 0.64 -0.04 0.82 1.06 0.00 0.00 176.91 179.40 2ygs h ILE 30 N 0.54 1.27 -0.78 -1.22 2.04 -0.77 -0.35 117.51 118.24 2ygs h ILE 30 Ca 0.11 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 65.02 2ygs h ILE 30 Cb 0.44 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 2ygs h ILE 30 CO 0.02 0.31 0.47 -1.28 0.00 0.00 0.00 178.15 177.67 2ygs h SER 31 N 0.19 0.74 0.72 1.72 0.87 -0.71 -1.51 113.55 115.57 2ygs h SER 31 Ca 0.06 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2ygs h SER 31 Cb 0.48 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2ygs h SER 31 CO 0.02 0.48 -0.19 0.44 -0.53 0.00 0.00 176.83 177.04 2ygs h ASP 32 N 0.87 0.00 0.00 6.23 3.32 -0.72 -3.47 116.42 122.65 2ygs h ASP 32 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2ygs h ASP 32 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2ygs h ASP 32 CO -0.17 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 2ygs n GLY 33 N -0.14 1.07 0.06 2.75 0.00 -0.53 -5.00 105.19 103.41 2ygs n GLY 33 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.91 2ygs n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ygs n PHE 34 N -2.01 0.03 -3.71 1.61 3.72 -0.26 -4.96 117.46 111.88 2ygs n PHE 34 Ca 0.00 -0.74 -0.12 0.00 -0.05 0.00 0.00 57.45 56.54 2ygs n PHE 34 Cb 0.01 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 38.35 2ygs n PHE 34 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2ygs s LEU 35 N -1.91 0.13 0.35 4.37 2.96 -1.18 -4.92 118.68 118.47 2ygs s LEU 35 Ca 0.16 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 2ygs s LEU 35 Cb 0.14 1.42 -0.01 0.00 0.50 0.00 0.00 46.19 48.23 2ygs s LEU 35 CO 0.02 -0.17 0.52 0.42 -1.32 0.00 0.00 176.35 175.81 2ygs s THR 36 N 0.83 4.42 0.34 3.68 -4.23 -1.26 -4.16 115.64 115.25 2ygs s THR 36 Ca -0.05 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2ygs s THR 36 Cb -0.06 -3.58 0.17 0.00 1.34 0.00 0.00 72.50 70.38 2ygs s THR 36 CO -0.06 -0.29 1.89 0.40 -0.54 0.00 0.00 174.62 176.02 2ygs h ILE 37 N 0.79 1.19 -0.49 2.99 1.08 -1.98 -0.92 117.51 120.16 2ygs h ILE 37 Ca -0.48 -0.71 0.03 0.00 -0.39 0.00 0.00 64.86 63.32 2ygs h ILE 37 Cb 1.25 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 2ygs h ILE 37 CO 0.57 0.25 0.27 0.28 -0.69 0.00 0.00 178.15 178.83 2ygs h SER 38 N 0.55 0.41 -0.45 1.72 0.02 -1.99 0.54 113.55 114.35 2ygs h SER 38 Ca 0.12 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2ygs h SER 38 Cb 0.27 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2ygs h SER 38 CO 0.00 0.29 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.56 2ygs h GLU 39 N 0.53 0.86 -0.41 3.45 5.08 -1.80 -2.43 114.58 119.86 2ygs h GLU 39 Ca 0.21 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2ygs h GLU 39 Cb 0.08 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2ygs h GLU 39 CO -0.12 0.95 0.21 1.49 -1.00 0.00 0.00 179.01 180.54 2ygs h GLU 40 N 0.69 0.41 -0.94 2.33 4.81 -0.64 -0.94 114.58 120.31 2ygs h GLU 40 Ca 0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2ygs h GLU 40 Cb 0.62 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2ygs h GLU 40 CO 0.04 0.27 0.57 0.93 -0.73 0.00 0.00 179.01 180.09 2ygs h GLU 41 N 0.42 1.27 -0.53 1.92 5.08 -0.79 0.40 114.58 122.35 2ygs h GLU 41 Ca 0.17 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2ygs h GLU 41 Cb 0.07 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2ygs h GLU 41 CO -0.12 0.88 0.05 -0.22 -1.00 0.00 0.00 179.01 178.61 2ygs h LYS 42 N 1.29 0.91 -0.04 2.33 3.64 -0.91 -1.60 116.57 122.19 2ygs h LYS 42 Ca 0.34 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2ygs h LYS 42 Cb -0.06 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2ygs h LYS 42 CO -0.06 0.90 0.02 0.28 -2.27 0.00 0.00 179.45 178.32 2ygs h VAL 43 N 0.79 1.06 -0.45 2.00 2.07 -0.71 -2.65 116.25 118.35 2ygs h VAL 43 Ca 0.16 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2ygs h VAL 43 Cb 0.46 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2ygs h VAL 43 CO 0.02 0.05 0.32 0.03 0.02 0.00 0.00 177.57 178.00 2ygs h ARG 44 N -0.00 0.11 0.00 1.57 3.08 -0.70 -1.15 114.38 117.28 2ygs h ARG 44 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ygs h ARG 44 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ygs h ARG 44 CO -0.00 0.07 0.00 -1.71 -1.07 0.00 0.00 179.97 177.26 2ygs n ASN 45 N -4.43 0.23 -4.72 7.04 5.15 -0.62 -4.68 115.26 113.22 2ygs n ASN 45 Ca 0.07 0.56 -0.42 0.00 -0.60 0.00 0.00 54.58 54.20 2ygs n ASN 45 Cb 0.45 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.06 2ygs n ASN 45 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2ygs s GLU 46 N -3.12 4.52 0.17 1.20 0.41 -0.44 -4.97 118.70 116.48 2ygs s GLU 46 Ca 0.05 1.64 -0.17 0.00 -0.41 0.00 0.00 54.97 56.09 2ygs s GLU 46 Cb 0.09 -3.36 0.11 0.00 -1.78 0.00 0.00 34.13 29.19 2ygs s GLU 46 CO 0.28 -0.09 1.66 -1.35 -0.49 0.00 0.00 175.26 175.26 2ygs h PRO 47 N 6.32 -0.02 -6.12 0.39 0.11 -1.88 -3.42 132.00 127.37 2ygs h PRO 47 Ca -0.42 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.16 2ygs h PRO 47 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2ygs h PRO 47 CO 0.77 -0.01 -0.50 0.95 -0.21 0.00 0.00 178.00 179.00 2ygs s THR 48 N -6.21 3.11 0.15 -1.15 -4.23 -1.26 -5.01 115.64 101.04 2ygs s THR 48 Ca -0.14 -1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2ygs s THR 48 Cb 0.15 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.97 2ygs s THR 48 CO 0.71 -0.16 1.75 -0.61 -0.54 0.00 0.00 174.62 175.77 2ygs h GLN 49 N 1.42 0.27 -0.52 3.99 -0.00 -1.96 -0.25 115.11 118.06 2ygs h GLN 49 Ca -0.44 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.12 2ygs h GLN 49 Cb 1.25 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.65 2ygs h GLN 49 CO 0.62 0.18 0.02 1.96 0.00 0.00 0.00 178.83 181.60 2ygs h GLN 50 N 0.28 0.86 -0.21 1.69 7.50 -1.88 -0.52 115.11 122.82 2ygs h GLN 50 Ca 0.16 -0.23 -0.12 0.00 0.50 0.00 0.00 58.65 58.95 2ygs h GLN 50 Cb 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 2ygs h GLN 50 CO -0.16 0.85 -0.37 1.96 -1.50 0.00 0.00 178.83 179.61 2ygs h GLN 51 N 0.80 0.46 -0.27 1.46 4.20 -1.78 0.11 115.11 120.09 2ygs h GLN 51 Ca 0.16 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2ygs h GLN 51 Cb 0.46 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2ygs h GLN 51 CO 0.02 0.77 -0.05 0.00 -0.67 0.00 0.00 178.83 178.90 2ygs h ARG 52 N 0.39 0.52 -0.83 1.46 3.08 -0.61 -1.44 114.38 116.94 2ygs h ARG 52 Ca 0.04 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2ygs h ARG 52 Cb 0.84 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2ygs h ARG 52 CO 0.07 0.71 0.48 0.00 -1.07 0.00 0.00 179.97 180.16 2ygs h ALA 53 N 0.79 1.07 -0.37 0.04 0.00 -0.87 -0.55 119.26 119.36 2ygs h ALA 53 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ygs h ALA 53 Cb 0.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ygs h ALA 53 CO 0.02 0.55 0.22 0.00 0.00 0.00 0.00 179.25 180.04 2ygs h ALA 54 N 1.26 0.47 -0.41 0.00 0.00 -0.58 -1.20 119.26 118.80 2ygs h ALA 54 Ca 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2ygs h ALA 54 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ygs h ALA 54 CO -0.05 -0.02 0.16 1.98 0.00 0.00 0.00 179.25 181.31 2ygs h MET 55 N 0.48 0.62 -0.08 0.00 -1.53 -0.90 -0.14 114.93 113.39 2ygs h MET 55 Ca 0.13 -0.12 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 2ygs h MET 55 Cb 0.02 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 2ygs h MET 55 CO -0.02 0.59 0.01 1.25 0.14 0.00 0.00 176.91 178.88 2ygs h LEU 56 N 0.53 -0.01 -1.06 3.39 5.85 -0.91 -1.48 115.31 121.61 2ygs h LEU 56 Ca 0.14 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2ygs h LEU 56 Cb 0.20 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2ygs h LEU 56 CO -0.01 0.01 0.25 0.40 -0.34 0.00 0.00 178.44 178.75 2ygs h ILE 57 N 0.04 1.22 -1.01 4.05 2.04 -1.09 -0.72 117.51 122.05 2ygs h ILE 57 Ca 0.03 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.23 2ygs h ILE 57 Cb 0.03 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 2ygs h ILE 57 CO -0.05 0.28 0.66 0.50 0.00 0.00 0.00 178.15 179.54 2ygs h LYS 58 N 0.90 1.25 -0.19 2.37 3.64 -0.45 -0.75 116.57 123.34 2ygs h LYS 58 Ca 0.21 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 2ygs h LYS 58 Cb 0.18 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2ygs h LYS 58 CO -0.02 0.82 -0.34 0.52 -2.27 0.00 0.00 179.45 178.16 2ygs h MET 59 N 1.28 0.56 -0.71 1.90 2.86 -0.57 -3.27 114.93 117.00 2ygs h MET 59 Ca 0.40 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2ygs h MET 59 Cb -0.01 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2ygs h MET 59 CO -0.12 0.97 0.38 0.82 1.06 0.00 0.00 176.91 180.01 2ygs h ILE 60 N 0.22 1.21 -0.16 -1.22 2.04 -0.63 -2.22 117.51 116.75 2ygs h ILE 60 Ca 0.01 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.37 2ygs h ILE 60 Cb 0.94 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2ygs h ILE 60 CO 0.08 0.24 0.21 -0.07 0.00 0.00 0.00 178.15 178.61 2ygs h LEU 61 N 0.99 0.00 -1.50 1.44 3.38 -1.20 0.24 115.31 118.67 2ygs h LEU 61 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2ygs h LEU 61 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ygs h LEU 61 CO -0.04 0.00 -0.12 0.29 0.09 0.00 0.00 178.44 178.66 2ygs n LYS 62 N -3.62 1.90 -2.41 1.13 5.02 -0.84 -4.64 118.16 114.69 2ygs n LYS 62 Ca 0.01 -1.50 -0.25 0.00 -2.02 0.00 0.00 58.31 54.56 2ygs n LYS 62 Cb 0.32 -1.47 0.12 0.00 -0.02 0.00 0.00 35.03 33.98 2ygs n LYS 62 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ygs s LYS 63 N -2.13 1.57 0.82 1.97 1.02 0.07 -4.64 119.74 118.42 2ygs s LYS 63 Ca 0.27 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 2ygs s LYS 63 Cb 0.20 -2.22 0.18 0.00 -0.52 0.00 0.00 37.83 35.47 2ygs s LYS 63 CO 0.38 -1.58 1.11 -0.40 -0.92 0.00 0.00 175.35 173.94 2ygs n ASP 64 N -3.01 0.30 -0.15 2.83 5.68 -1.26 -0.13 116.55 120.82 2ygs n ASP 64 Ca 0.14 -1.53 -0.05 0.00 -0.50 0.00 0.00 54.79 52.85 2ygs n ASP 64 Cb 0.60 -0.83 0.04 0.00 -1.14 0.00 0.00 41.12 39.79 2ygs n ASP 64 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2ygs h ASN 65 N -1.34 0.30 -0.61 -1.12 2.35 -1.97 -1.93 115.58 111.26 2ygs h ASN 65 Ca -0.36 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.47 2ygs h ASN 65 Cb 1.05 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 2ygs h ASN 65 CO 0.27 0.22 0.40 0.44 -1.65 0.00 0.00 177.43 177.11 2ygs h ASP 66 N 0.44 0.55 -0.31 5.81 3.32 -1.99 -1.00 116.42 123.24 2ygs h ASP 66 Ca 0.20 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 2ygs h ASP 66 Cb 0.13 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2ygs h ASP 66 CO -0.16 0.37 -0.29 0.28 -1.72 0.00 0.00 179.24 177.73 2ygs h SER 67 N 0.63 0.85 -0.26 6.45 0.02 -1.73 0.36 113.55 119.87 2ygs h SER 67 Ca 0.26 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2ygs h SER 67 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2ygs h SER 67 CO -0.07 1.08 0.11 0.22 -1.14 0.00 0.00 176.83 177.02 2ygs h TYR 68 N 0.70 0.39 -0.45 3.45 3.20 -0.75 -0.23 116.97 123.28 2ygs h TYR 68 Ca 0.08 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2ygs h TYR 68 Cb 0.83 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2ygs h TYR 68 CO 0.05 0.39 0.04 0.28 -1.64 0.00 0.00 178.16 177.27 2ygs h VAL 69 N 0.27 1.22 -0.50 1.81 2.07 -1.04 -0.38 116.25 119.71 2ygs h VAL 69 Ca 0.09 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2ygs h VAL 69 Cb 0.16 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2ygs h VAL 69 CO -0.01 0.31 0.16 -1.28 0.02 0.00 0.00 177.57 176.77 2ygs h SER 70 N 0.67 0.73 -0.18 0.57 0.87 -0.55 -0.57 113.55 115.08 2ygs h SER 70 Ca 0.14 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2ygs h SER 70 Cb 0.37 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2ygs h SER 70 CO 0.01 0.74 0.11 0.15 -0.53 0.00 0.00 176.83 177.31 2ygs h PHE 71 N 0.68 0.23 -0.36 2.24 3.57 -0.54 -0.59 116.94 122.17 2ygs h PHE 71 Ca 0.16 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.73 2ygs h PHE 71 Cb 0.27 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 2ygs h PHE 71 CO 0.01 0.18 0.02 -0.92 -2.23 0.00 0.00 178.31 175.37 2ygs h TYR 72 N 0.22 0.02 -0.53 0.41 3.20 -0.79 -1.08 116.97 118.43 2ygs h TYR 72 Ca 0.06 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2ygs h TYR 72 Cb 0.01 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2ygs h TYR 72 CO -0.06 -0.04 0.13 -0.91 -1.64 0.00 0.00 178.16 175.64 2ygs h ASN 73 N 0.13 0.75 -0.42 -2.11 2.35 -0.88 -1.87 115.58 113.53 2ygs h ASN 73 Ca 0.17 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2ygs h ASN 73 Cb 0.23 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2ygs h ASN 73 CO -0.27 0.74 0.20 0.00 -1.65 0.00 0.00 177.43 176.45 2ygs h ALA 74 N 1.36 0.54 -0.28 -0.83 0.00 -0.40 0.06 119.26 119.72 2ygs h ALA 74 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2ygs h ALA 74 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2ygs h ALA 74 CO -0.00 0.11 0.14 -0.07 0.00 0.00 0.00 179.25 179.42 2ygs h LEU 75 N 0.54 0.20 -0.17 0.00 3.38 -0.90 -0.78 115.31 117.58 2ygs h LEU 75 Ca 0.14 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ygs h LEU 75 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ygs h LEU 75 CO -0.02 0.15 0.10 -0.07 0.09 0.00 0.00 178.44 178.70 2ygs h LEU 76 N 0.29 0.20 -2.05 1.67 3.38 -1.10 -0.57 115.31 117.14 2ygs h LEU 76 Ca 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2ygs h LEU 76 Cb 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2ygs h LEU 76 CO -0.08 0.20 -0.09 0.45 0.09 0.00 0.00 178.44 179.01 2ygs h HIS 77 N 0.19 0.00 -0.40 1.13 3.86 -0.71 -0.89 115.15 118.34 2ygs h HIS 77 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2ygs h HIS 77 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2ygs h HIS 77 CO -0.05 0.09 0.00 0.39 0.86 0.00 0.00 177.93 179.22 2ygs n GLU 78 N -3.73 2.10 -0.80 2.45 -0.58 -0.32 -4.94 120.64 114.82 2ygs n GLU 78 Ca -0.02 -1.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 2ygs n GLU 78 Cb 0.20 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2ygs n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ygs n GLY 79 N 1.28 0.81 2.49 0.62 0.00 -0.34 -4.95 105.19 105.10 2ygs n GLY 79 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2ygs n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ygs n TYR 80 N -2.25 2.78 -0.12 1.61 4.01 -0.26 -4.75 117.16 118.17 2ygs n TYR 80 Ca 0.00 -3.01 -0.04 0.00 -0.16 0.00 0.00 57.90 54.69 2ygs n TYR 80 Cb 0.00 -2.39 0.02 0.00 -0.31 0.00 0.00 39.34 36.67 2ygs n TYR 80 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2ygs h LYS 81 N 5.27 0.03 -0.53 -0.72 1.57 -1.87 -1.10 116.57 119.21 2ygs h LYS 81 Ca 0.74 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.45 2ygs h LYS 81 Cb 0.40 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2ygs h LYS 81 CO 1.76 0.02 0.07 -0.44 -0.57 0.00 0.00 179.45 180.29 2ygs h ASP 82 N 0.03 0.86 -0.61 0.86 3.32 -1.98 -1.17 116.42 117.73 2ygs h ASP 82 Ca 0.20 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2ygs h ASP 82 Cb 0.30 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2ygs h ASP 82 CO -0.40 0.92 0.16 -0.07 -1.72 0.00 0.00 179.24 178.12 2ygs h LEU 83 N 0.78 0.92 -0.61 1.55 3.38 -1.88 -1.08 115.31 118.37 2ygs h LEU 83 Ca 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2ygs h LEU 83 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2ygs h LEU 83 CO 0.01 0.91 0.22 0.00 0.09 0.00 0.00 178.44 179.68 2ygs h ALA 84 N 1.05 0.80 -0.77 1.53 0.00 -1.13 -2.14 119.26 118.60 2ygs h ALA 84 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2ygs h ALA 84 Cb 0.34 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2ygs h ALA 84 CO 0.00 0.44 0.50 0.00 0.00 0.00 0.00 179.25 180.20 2ygs h ALA 85 N 1.08 1.69 -0.23 0.00 0.00 -0.61 0.05 119.26 121.24 2ygs h ALA 85 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2ygs h ALA 85 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ygs h ALA 85 CO -0.01 0.17 -0.05 -0.07 0.00 0.00 0.00 179.25 179.29 2ygs h LEU 86 N 0.79 0.34 0.00 0.00 3.38 -0.53 -2.73 115.31 116.55 2ygs h LEU 86 Ca 0.34 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2ygs h LEU 86 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ygs h LEU 86 CO -0.12 0.44 -0.72 -0.07 0.09 0.00 0.00 178.44 178.06 2ygs h LEU 87 N 0.35 0.00 -1.32 1.67 3.38 -0.89 -3.37 115.31 115.13 2ygs h LEU 87 Ca 0.07 -0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.09 2ygs h LEU 87 Cb 0.32 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2ygs h LEU 87 CO 0.01 0.09 0.63 -0.74 0.09 0.00 0.00 178.44 178.52 2ygs h HIS 88 N 0.00 0.72 -0.84 1.13 2.76 -0.79 0.56 115.15 118.69 2ygs h HIS 88 Ca 0.00 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.27 2ygs h HIS 88 Cb 0.80 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.49 2ygs h HIS 88 CO 0.00 0.14 0.55 0.22 -1.30 0.00 0.00 177.93 177.54 2ygs h ASP 89 N 0.50 0.79 0.09 3.26 3.58 -1.74 -2.21 116.42 120.69 2ygs h ASP 89 Ca 0.55 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.01 2ygs h ASP 89 Cb 1.23 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2ygs h ASP 89 CO -0.27 0.49 -0.06 0.61 -2.88 0.00 0.00 179.24 177.13 2ygs n GLY 90 N -1.42 -0.41 3.67 -0.78 0.00 0.18 -4.88 105.19 101.55 2ygs n GLY 90 Ca 0.13 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2ygs n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ygs s ILE 91 N -2.15 3.41 -2.00 -0.61 1.01 -0.83 -4.03 121.20 115.99 2ygs s ILE 91 Ca 0.36 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.66 2ygs s ILE 91 Cb 0.21 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 39.32 2ygs s ILE 91 CO 0.39 -0.04 0.60 -2.65 0.00 0.00 0.00 174.94 173.24