#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyd n SER 1 N 0.00 4.64 -0.09 6.12 3.41 -1.26 -4.74 113.62 121.70 1xyd n SER 1 Ca 0.00 -2.89 0.14 0.00 -0.26 0.00 0.00 58.87 55.87 1xyd n SER 1 Cb 0.00 -1.74 0.53 0.00 -0.26 0.00 0.00 64.21 62.74 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xyd h GLU 2 N 7.76 0.33 0.00 4.33 5.08 -2.06 0.20 114.58 130.22 1xyd h GLU 2 Ca 0.43 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1xyd h GLU 2 Cb 0.87 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1xyd h GLU 2 CO 1.45 0.22 -0.15 -0.07 -1.00 0.00 0.00 179.01 179.46 1xyd h LEU 3 N 0.34 0.00 -0.20 1.33 3.38 -2.01 -2.83 115.31 115.33 1xyd h LEU 3 Ca 0.30 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 1xyd h LEU 3 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1xyd h LEU 3 CO -0.08 0.15 -0.94 -0.08 0.09 0.00 0.00 178.44 177.59 1xyd h GLU 4 N 0.00 0.29 -0.16 1.13 4.57 -0.99 -2.50 114.58 116.92 1xyd h GLU 4 Ca -0.00 -0.33 -0.05 0.00 -1.18 0.00 0.00 59.36 57.80 1xyd h GLU 4 Cb 0.75 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1xyd h GLU 4 CO 0.02 1.04 -0.10 0.87 -1.18 0.00 0.00 179.01 179.66 1xyd h LYS 5 N 0.16 0.36 0.23 1.92 1.57 -1.33 -2.39 116.57 117.07 1xyd h LYS 5 Ca -0.07 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1xyd h LYS 5 Cb 1.58 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 1xyd h LYS 5 CO 0.15 0.69 -0.25 0.00 -0.57 0.00 0.00 179.45 179.47 1xyd h ALA 6 N 0.66 -0.50 -0.98 3.86 0.00 -1.54 0.18 119.26 120.93 1xyd h ALA 6 Ca 0.03 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1xyd h ALA 6 Cb 0.60 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1xyd h ALA 6 CO 0.03 -0.82 0.56 0.52 0.00 0.00 0.00 179.25 179.54 1xyd h MET 7 N -0.52 0.59 -0.01 0.00 2.86 -1.43 0.50 114.93 116.90 1xyd h MET 7 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1xyd h MET 7 Cb 0.49 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1xyd h MET 7 CO -0.07 0.39 -0.02 0.28 1.06 0.00 0.00 176.91 178.55 1xyd h VAL 8 N 0.61 1.42 -0.02 -2.22 2.07 -0.74 0.14 116.25 117.50 1xyd h VAL 8 Ca 0.60 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1xyd h VAL 8 Cb 1.07 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1xyd h VAL 8 CO -0.45 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.48 1xyd h ALA 9 N 0.48 1.97 0.00 1.67 0.00 0.72 -2.76 119.26 121.34 1xyd h ALA 9 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xyd h ALA 9 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xyd h ALA 9 CO 0.00 0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.21 1xyd h LEU 10 N 0.03 -0.00 -1.68 0.00 3.38 0.08 -3.16 115.31 113.96 1xyd h LEU 10 Ca 0.01 -0.62 0.37 0.00 0.09 0.00 0.00 57.88 57.73 1xyd h LEU 10 Cb 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 1xyd h LEU 10 CO -0.00 0.80 0.87 0.40 0.09 0.00 0.00 178.44 180.60 1xyd h ILE 11 N -0.99 0.33 0.02 1.22 2.04 -0.57 2.19 117.51 121.74 1xyd h ILE 11 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xyd h ILE 11 Cb 0.63 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1xyd h ILE 11 CO 0.00 0.02 -0.01 0.44 0.00 0.00 0.00 178.15 178.61 1xyd h ASP 12 N 0.13 -0.02 1.09 1.72 5.19 -1.57 -2.20 116.42 120.75 1xyd h ASP 12 Ca 0.68 -0.55 -0.10 0.00 -0.62 0.00 0.00 57.03 56.43 1xyd h ASP 12 Cb 2.29 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 41.79 1xyd h ASP 12 CO -0.18 0.54 -0.50 0.58 -3.12 0.00 0.00 179.24 176.56 1xyd h VAL 13 N -0.60 0.98 0.19 -1.35 2.07 -0.56 -2.49 116.25 114.50 1xyd h VAL 13 Ca -0.00 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1xyd h VAL 13 Cb 0.57 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1xyd h VAL 13 CO 0.00 0.49 -0.09 -0.26 0.02 0.00 0.00 177.57 177.73 1xyd h PHE 14 N 0.00 -0.24 0.00 1.57 -1.00 0.34 -2.82 116.94 114.80 1xyd h PHE 14 Ca -0.00 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.68 1xyd h PHE 14 Cb 1.17 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 1xyd h PHE 14 CO 0.00 0.15 -0.43 1.25 -1.61 0.00 0.00 178.31 177.67 1xyd h HIS 15 N -0.72 0.00 -0.49 -0.55 2.76 -1.48 0.59 115.15 115.26 1xyd h HIS 15 Ca -0.03 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.01 1xyd h HIS 15 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1xyd h HIS 15 CO 0.06 0.43 -0.20 1.96 -1.30 0.00 0.00 177.93 178.88 1xyd h GLN 16 N 0.00 0.99 0.00 5.26 4.20 -1.48 0.10 115.11 124.18 1xyd h GLN 16 Ca -0.00 -0.42 -0.14 0.00 0.06 0.00 0.00 58.65 58.15 1xyd h GLN 16 Cb 1.04 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1xyd h GLN 16 CO 0.06 1.10 -0.99 0.66 -0.67 0.00 0.00 178.83 178.98 1xyd n TYR 17 N -4.13 0.91 0.28 2.96 4.01 -1.06 -2.25 117.16 117.88 1xyd n TYR 17 Ca 0.00 0.40 0.18 0.00 -0.16 0.00 0.00 57.90 58.32 1xyd n TYR 17 Cb 0.45 -0.94 0.94 0.00 -0.31 0.00 0.00 39.34 39.48 1xyd n TYR 17 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1xyd h SER 18 N -1.00 0.00 0.01 7.72 0.87 -1.01 0.72 113.55 120.86 1xyd h SER 18 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1xyd h SER 18 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1xyd h SER 18 CO -0.12 0.00 -0.17 0.61 -0.53 0.00 0.00 176.83 176.62 1xyd n GLY 19 N -1.25 0.33 0.22 5.77 0.00 0.35 -2.92 105.19 107.69 1xyd n GLY 19 Ca -0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1xyd n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xyd h ARG 20 N 3.18 0.72 -2.90 1.61 2.43 0.92 -3.47 114.38 116.87 1xyd h ARG 20 Ca 0.00 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1xyd h ARG 20 Cb 0.77 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 1xyd h ARG 20 CO 0.00 0.57 0.27 -1.83 -1.51 0.00 0.00 179.97 177.46 1xyd s GLU 21 N -5.84 1.69 0.00 0.20 -1.05 -1.25 -5.10 118.70 107.35 1xyd s GLU 21 Ca -0.13 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 1xyd s GLU 21 Cb 0.12 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.39 1xyd s GLU 21 CO 0.76 -0.77 0.00 0.41 0.95 0.00 0.00 175.26 176.61 1xyd n GLY 22 N -0.46 -1.48 0.43 -3.83 0.00 -1.26 -4.62 105.19 93.97 1xyd n GLY 22 Ca -0.05 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1xyd n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xyd h ASP 23 N 0.00 -1.48 0.00 1.61 3.58 -1.91 -3.46 116.42 114.76 1xyd h ASP 23 Ca 0.00 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1xyd h ASP 23 Cb 0.00 0.59 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1xyd h ASP 23 CO 0.00 -0.46 0.00 0.29 -2.88 0.00 0.00 179.24 176.19 1xyd n LYS 24 N -5.44 0.00 -3.01 0.28 4.76 -1.26 -5.01 118.16 108.47 1xyd n LYS 24 Ca -0.05 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 1xyd n LYS 24 Cb 0.37 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.54 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xyd n HIS 25 N -0.93 1.56 -4.37 2.13 -0.00 -1.24 -3.47 115.22 108.90 1xyd n HIS 25 Ca 0.00 -3.70 -0.19 0.00 -0.00 0.00 0.00 57.72 53.82 1xyd n HIS 25 Cb 0.00 -0.41 -0.14 0.00 -0.00 0.00 0.00 29.99 29.44 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1xyd s LYS 26 N -2.87 0.88 -0.14 -0.41 2.47 -1.15 -4.62 119.74 113.89 1xyd s LYS 26 Ca 0.41 -0.62 -0.15 0.00 -1.56 0.00 0.00 55.97 54.05 1xyd s LYS 26 Cb 0.35 -0.85 -0.04 0.00 -1.46 0.00 0.00 37.83 35.82 1xyd s LYS 26 CO -0.09 0.22 0.36 -1.17 0.16 0.00 0.00 175.35 174.83 1xyd s LEU 27 N -0.85 4.26 0.15 5.43 2.96 -1.22 -4.40 118.68 125.01 1xyd s LEU 27 Ca 0.02 0.62 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1xyd s LEU 27 Cb -0.07 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1xyd s LEU 27 CO 0.01 0.06 0.07 -0.54 -1.32 0.00 0.00 176.35 174.62 1xyd s LYS 28 N 0.52 2.68 0.26 1.98 1.02 -1.26 -2.56 119.74 122.38 1xyd s LYS 28 Ca 0.20 -0.94 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 1xyd s LYS 28 Cb -0.14 -2.54 0.52 0.00 -0.52 0.00 0.00 37.83 35.16 1xyd s LYS 28 CO 0.06 0.49 1.63 -0.22 -0.92 0.00 0.00 175.35 176.39 1xyd h LYS 29 N 2.71 0.11 0.00 1.68 3.64 -1.99 1.70 116.57 124.42 1xyd h LYS 29 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xyd h LYS 29 Cb 1.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xyd h LYS 29 CO 0.61 0.07 0.32 0.43 -2.27 0.00 0.00 179.45 178.62 1xyd n SER 30 N -5.34 0.08 -0.09 4.20 7.64 -1.26 0.61 113.62 119.46 1xyd n SER 30 Ca 0.16 0.31 -0.16 0.00 1.01 0.00 0.00 58.87 60.18 1xyd n SER 30 Cb 0.54 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 63.34 1xyd n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xyd n GLU 31 N -1.47 0.68 0.43 1.43 1.02 0.58 -3.27 120.64 120.04 1xyd n GLU 31 Ca -0.00 0.15 -0.18 0.00 -0.02 0.00 0.00 57.16 57.11 1xyd n GLU 31 Cb 0.33 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 1xyd n GLU 31 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1xyd h LEU 32 N 0.01 -0.95 -1.31 -4.62 -0.00 0.29 2.63 115.31 111.36 1xyd h LEU 32 Ca -0.52 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 57.47 1xyd h LEU 32 Cb 2.01 0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 42.86 1xyd h LEU 32 CO -0.01 -0.60 0.52 0.50 -0.00 0.00 0.00 178.44 178.85 1xyd h LYS 33 N -1.27 0.77 0.16 1.13 3.64 -1.68 0.50 116.57 119.82 1xyd h LYS 33 Ca -0.11 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 58.91 1xyd h LYS 33 Cb 0.86 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1xyd h LYS 33 CO 0.19 0.51 -1.48 0.93 -2.27 0.00 0.00 179.45 177.33 1xyd h GLU 34 N 0.79 0.34 0.00 1.90 5.08 -1.49 -2.69 114.58 118.51 1xyd h GLU 34 Ca 0.36 -0.59 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1xyd h GLU 34 Cb 0.35 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1xyd h GLU 34 CO -0.13 1.25 -0.58 1.25 -1.00 0.00 0.00 179.01 179.79 1xyd h LEU 35 N 0.09 0.00 0.13 1.33 5.85 0.52 -1.37 115.31 121.85 1xyd h LEU 35 Ca -0.23 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.21 1xyd h LEU 35 Cb 2.05 0.00 0.03 0.00 0.37 0.00 0.00 40.66 43.11 1xyd h LEU 35 CO 0.20 0.58 -1.15 0.40 -0.34 0.00 0.00 178.44 178.14 1xyd h ILE 36 N 0.00 1.33 0.00 4.05 2.04 -0.09 -2.70 117.51 122.14 1xyd h ILE 36 Ca -0.01 -2.45 -0.16 0.00 1.00 0.00 0.00 64.86 63.24 1xyd h ILE 36 Cb 1.05 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.89 1xyd h ILE 36 CO 0.08 0.74 -0.86 -1.13 0.00 0.00 0.00 178.15 176.97 1xyd h ASN 37 N 0.14 0.00 0.09 1.72 -0.00 -1.47 -2.05 115.58 114.00 1xyd h ASN 37 Ca -0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.80 1xyd h ASN 37 Cb 1.85 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 40.14 1xyd h ASN 37 CO 0.22 0.72 -1.77 -0.46 -0.00 0.00 0.00 177.43 176.14 1xyd n ASN 38 N -3.22 2.05 -0.07 1.15 6.94 -0.52 -4.27 115.26 117.33 1xyd n ASN 38 Ca -0.01 0.28 -0.07 0.00 -0.02 0.00 0.00 54.58 54.76 1xyd n ASN 38 Cb 0.84 -0.90 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1xyd n GLU 39 N -3.79 0.42 -0.22 -3.83 -0.58 -1.07 -4.49 120.64 107.07 1xyd n GLU 39 Ca -0.32 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1xyd n GLU 39 Cb 0.93 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xyd n LEU 40 N -4.14 3.77 0.12 -4.62 4.77 -1.04 -3.87 117.00 111.98 1xyd n LEU 40 Ca -0.11 -1.77 0.12 0.00 -0.03 0.00 0.00 56.01 54.22 1xyd n LEU 40 Cb 0.41 -0.74 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1xyd n LEU 40 CO 0.16 0.68 0.39 0.77 -1.33 0.00 0.00 177.39 178.07 1xyd h SER 41 N 0.73 0.00 0.16 -1.43 4.64 -1.49 0.31 113.55 116.48 1xyd h SER 41 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1xyd h SER 41 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1xyd h SER 41 CO 0.00 0.03 -1.68 1.41 -0.87 0.00 0.00 176.83 175.72 1xyd n HIS 42 N -2.56 0.15 -0.04 4.77 8.25 -1.25 -4.54 115.22 119.99 1xyd n HIS 42 Ca 0.02 0.04 -0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1xyd n HIS 42 Cb 0.50 -0.50 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 1xyd n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xyd n PHE 43 N -2.21 0.00 -4.49 4.41 3.01 -1.25 -4.98 117.46 111.95 1xyd n PHE 43 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.10 1xyd n PHE 43 Cb 0.53 -0.35 -0.13 0.00 -0.01 0.00 0.00 39.48 39.53 1xyd n PHE 43 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1xyd s LEU 44 N -5.26 3.13 0.22 4.37 2.96 0.10 -5.07 118.68 119.14 1xyd s LEU 44 Ca -0.10 -0.17 -0.31 0.00 -0.22 0.00 0.00 54.13 53.33 1xyd s LEU 44 Cb 0.03 -1.74 -0.14 0.00 0.50 0.00 0.00 46.19 44.83 1xyd s LEU 44 CO 0.23 0.17 1.29 -1.84 -1.32 0.00 0.00 176.35 174.88 1xyd n GLU 45 N 3.49 1.67 -2.16 1.98 0.28 -1.26 -3.94 120.64 120.70 1xyd n GLU 45 Ca -0.18 0.60 -0.40 0.00 -0.16 0.00 0.00 57.16 57.02 1xyd n GLU 45 Cb 0.53 -2.17 -0.03 0.00 1.43 0.00 0.00 31.44 31.20 1xyd n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1xyd s GLU 46 N -0.53 2.97 0.37 3.44 -1.05 -1.26 -4.87 118.70 117.76 1xyd s GLU 46 Ca 0.69 0.66 -0.28 0.00 -0.15 0.00 0.00 54.97 55.88 1xyd s GLU 46 Cb -0.72 -4.27 -0.10 0.00 -0.44 0.00 0.00 34.13 28.59 1xyd s GLU 46 CO 0.52 -2.32 1.40 0.96 0.95 0.00 0.00 175.26 176.77 1xyd s ILE 47 N 7.65 2.34 -0.12 1.83 -4.36 -1.26 -4.89 121.20 122.38 1xyd s ILE 47 Ca 0.63 0.34 0.13 0.00 -0.26 0.00 0.00 60.65 61.49 1xyd s ILE 47 Cb -0.13 -3.21 -0.18 0.00 1.25 0.00 0.00 42.46 40.18 1xyd s ILE 47 CO 0.24 0.08 0.32 0.29 0.24 0.00 0.00 174.94 176.11 1xyd n LYS 48 N 0.53 0.87 -4.33 0.37 5.02 -1.26 -4.91 118.16 114.45 1xyd n LYS 48 Ca 0.01 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 1xyd n LYS 48 Cb 0.41 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xyd s GLU 49 N -2.74 2.20 0.35 1.97 2.02 -1.26 -5.01 118.70 116.22 1xyd s GLU 49 Ca -0.03 -0.96 0.23 0.00 0.02 0.00 0.00 54.97 54.23 1xyd s GLU 49 Cb 0.08 -2.33 0.21 0.00 0.10 0.00 0.00 34.13 32.20 1xyd s GLU 49 CO 0.52 0.53 1.39 1.96 0.02 0.00 0.00 175.26 179.68 1xyd h GLN 50 N 3.90 0.00 -0.97 1.61 4.20 -1.99 -3.37 115.11 118.50 1xyd h GLN 50 Ca -0.49 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.50 1xyd h GLN 50 Cb 1.17 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.77 1xyd h GLN 50 CO 0.52 0.00 0.08 0.93 -0.67 0.00 0.00 178.83 179.68 1xyd h GLU 51 N 0.00 0.03 -0.13 1.46 5.08 -1.98 1.74 114.58 120.78 1xyd h GLU 51 Ca 0.00 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1xyd h GLU 51 Cb 1.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xyd h GLU 51 CO 0.00 0.02 -0.71 -0.39 -1.00 0.00 0.00 179.01 176.93 1xyd h VAL 52 N 0.03 1.33 0.00 3.13 -1.51 -1.99 -0.80 116.25 116.44 1xyd h VAL 52 Ca 0.60 -2.01 -0.02 0.00 -1.23 0.00 0.00 66.70 64.04 1xyd h VAL 52 Cb 1.26 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1xyd h VAL 52 CO -0.88 0.62 -0.12 1.62 -1.23 0.00 0.00 177.57 177.58 1xyd h VAL 53 N 0.42 0.51 0.03 7.19 3.04 0.97 1.50 116.25 129.90 1xyd h VAL 53 Ca -0.03 -0.57 -0.22 0.00 -1.01 0.00 0.00 66.70 64.87 1xyd h VAL 53 Cb 1.30 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.96 1xyd h VAL 53 CO 0.14 0.12 -0.97 -0.78 -1.01 0.00 0.00 177.57 175.06 1xyd h ASP 54 N 0.00 0.28 0.02 3.17 3.58 0.28 -2.65 116.42 121.10 1xyd h ASP 54 Ca -0.00 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 1xyd h ASP 54 Cb 0.37 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1xyd h ASP 54 CO 0.02 1.10 -0.12 0.50 -2.88 0.00 0.00 179.24 177.85 1xyd h LYS 55 N 0.10 0.04 -0.79 0.28 3.11 0.55 -3.11 116.57 116.76 1xyd h LYS 55 Ca -0.06 -0.07 0.16 0.00 -2.81 0.00 0.00 60.65 57.87 1xyd h LYS 55 Cb 1.64 0.03 -0.10 0.00 -1.00 0.00 0.00 32.23 32.79 1xyd h LYS 55 CO 0.15 1.03 0.31 -0.24 -2.81 0.00 0.00 179.45 177.90 1xyd h VAL 56 N -0.92 0.61 -0.84 2.00 3.04 0.19 0.50 116.25 120.84 1xyd h VAL 56 Ca -0.02 -0.15 0.05 0.00 -1.01 0.00 0.00 66.70 65.57 1xyd h VAL 56 Cb 1.09 0.14 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 1xyd h VAL 56 CO 0.02 0.08 0.55 0.24 -1.01 0.00 0.00 177.57 177.45 1xyd h MET 57 N 0.43 0.94 -0.53 4.17 2.86 -1.55 0.42 114.93 121.66 1xyd h MET 57 Ca 0.44 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1xyd h MET 57 Cb 0.72 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1xyd h MET 57 CO -0.44 0.62 0.35 1.49 1.06 0.00 0.00 176.91 180.00 1xyd h GLU 58 N 0.97 0.65 0.06 1.72 4.81 0.07 2.16 114.58 125.03 1xyd h GLU 58 Ca 0.35 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 59.24 1xyd h GLU 58 Cb 0.15 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1xyd h GLU 58 CO -0.12 0.43 -1.62 1.15 -0.73 0.00 0.00 179.01 178.12 1xyd h THR 59 N 0.67 1.01 0.02 0.32 2.02 -0.54 -3.40 112.91 113.01 1xyd h THR 59 Ca 0.20 -2.75 -0.31 0.00 0.77 0.00 0.00 66.41 64.33 1xyd h THR 59 Cb 0.00 2.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 1xyd h THR 59 CO -0.05 0.73 -1.71 0.18 0.37 0.00 0.00 175.52 175.04 1xyd n LEU 60 N -3.30 2.06 -4.52 2.58 7.99 0.13 -4.80 117.00 117.14 1xyd n LEU 60 Ca -0.18 0.34 -0.46 0.00 -0.01 0.00 0.00 56.01 55.71 1xyd n LEU 60 Cb 1.04 -0.96 -0.05 0.00 -0.11 0.00 0.00 43.42 43.33 1xyd n LEU 60 CO 0.47 0.46 1.86 -0.67 -1.51 0.00 0.00 177.39 178.00 1xyd n ASP 61 N -4.19 2.54 -0.09 -1.43 -0.08 0.73 -4.78 116.55 109.26 1xyd n ASP 61 Ca -0.38 0.24 -0.17 0.00 -1.51 0.00 0.00 54.79 52.97 1xyd n ASP 61 Cb 0.80 -1.40 -0.12 0.00 2.34 0.00 0.00 41.12 42.74 1xyd n ASP 61 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xyd h GLU 62 N 14.12 0.00 0.00 -0.67 4.81 -1.87 -3.21 114.58 127.76 1xyd h GLU 62 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1xyd h GLU 62 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xyd h GLU 62 CO 1.02 0.98 0.00 -0.40 -0.73 0.00 0.00 179.01 179.88 1xyd n ASP 63 N -4.53 0.00 -3.79 1.04 5.68 -1.26 -4.84 116.55 108.84 1xyd n ASP 63 Ca -0.20 -0.63 -0.25 0.00 -0.50 0.00 0.00 54.79 53.21 1xyd n ASP 63 Cb 0.56 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.51 1xyd n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xyd n GLY 64 N 0.61 -0.37 0.30 6.12 0.00 -1.21 -4.84 105.19 105.80 1xyd n GLY 64 Ca 0.17 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.47 1xyd n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xyd n ASP 65 N -2.97 1.32 0.00 1.61 5.75 -1.26 -4.91 116.55 116.09 1xyd n ASP 65 Ca -0.17 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 1xyd n ASP 65 Cb 0.62 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1xyd n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyd n GLY 66 N 1.39 0.97 3.29 6.12 0.00 -1.26 -5.00 105.19 110.70 1xyd n GLY 66 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1xyd n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xyd s GLU 67 N -0.22 1.20 -0.39 1.61 8.01 -1.26 -4.47 118.70 123.18 1xyd s GLU 67 Ca 0.00 -1.56 0.01 0.00 0.01 0.00 0.00 54.97 53.43 1xyd s GLU 67 Cb 0.00 -0.64 0.11 0.00 -4.31 0.00 0.00 34.13 29.29 1xyd s GLU 67 CO 0.00 -0.00 0.14 0.00 0.01 0.00 0.00 175.26 175.41 1xyd n ASP 69 N 4.33 -2.54 0.13 0.00 -0.08 -1.26 -3.37 116.55 113.76 1xyd n ASP 69 Ca 0.01 -0.33 -0.01 0.00 -1.51 0.00 0.00 54.79 52.95 1xyd n ASP 69 Cb 0.41 -0.51 0.14 0.00 2.34 0.00 0.00 41.12 43.50 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1xyd h PHE 70 N -2.48 0.00 -0.18 -0.67 -5.15 -1.98 -1.22 116.94 105.25 1xyd h PHE 70 Ca -0.15 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.41 1xyd h PHE 70 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.68 1xyd h PHE 70 CO 0.00 0.64 -0.73 -0.56 -2.00 0.00 0.00 178.31 175.66 1xyd h GLN 71 N 0.00 0.80 0.04 6.09 -0.00 -1.99 -2.84 115.11 117.20 1xyd h GLN 71 Ca -0.01 -0.62 -0.31 0.00 -0.00 0.00 0.00 58.65 57.72 1xyd h GLN 71 Cb 1.19 0.12 -0.04 0.00 -0.00 0.00 0.00 27.48 28.75 1xyd h GLN 71 CO 0.08 1.23 -1.73 1.05 -0.00 0.00 0.00 178.83 179.47 1xyd h GLU 72 N 0.56 0.09 -0.57 0.06 4.11 -1.89 -3.22 114.58 113.71 1xyd h GLU 72 Ca -0.04 -0.15 0.10 0.00 0.07 0.00 0.00 59.36 59.34 1xyd h GLU 72 Cb 1.35 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.58 1xyd h GLU 72 CO 0.15 0.75 0.15 0.35 0.07 0.00 0.00 179.01 180.48 1xyd h PHE 73 N 0.02 0.26 -0.62 2.06 3.57 -1.29 0.49 116.94 121.43 1xyd h PHE 73 Ca -0.30 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.24 1xyd h PHE 73 Cb 2.01 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.69 1xyd h PHE 73 CO 0.02 0.02 0.41 1.98 -2.23 0.00 0.00 178.31 178.52 1xyd h MET 74 N 0.30 0.81 -0.05 1.11 4.05 -1.62 0.20 114.93 119.74 1xyd h MET 74 Ca 0.29 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1xyd h MET 74 Cb 0.40 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1xyd h MET 74 CO -0.34 0.54 0.42 0.00 0.23 0.00 0.00 176.91 177.75 1xyd h ALA 75 N 1.23 1.49 0.09 0.39 0.00 -0.07 0.14 119.26 122.52 1xyd h ALA 75 Ca 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xyd h ALA 75 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xyd h ALA 75 CO -0.05 -0.44 -0.04 0.35 0.00 0.00 0.00 179.25 179.06 1xyd h PHE 76 N 0.00 -0.11 -0.88 0.00 3.57 0.52 -1.73 116.94 118.32 1xyd h PHE 76 Ca 0.02 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.68 1xyd h PHE 76 Cb 0.86 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1xyd h PHE 76 CO 0.00 0.40 0.57 0.28 -2.23 0.00 0.00 178.31 177.33 1xyd h VAL 77 N -0.72 0.78 -0.08 1.41 2.07 -0.73 0.76 116.25 119.73 1xyd h VAL 77 Ca -0.01 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1xyd h VAL 77 Cb 0.56 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1xyd h VAL 77 CO 0.02 0.10 -0.22 -1.28 0.02 0.00 0.00 177.57 176.22 1xyd h SER 78 N 0.57 0.13 0.62 0.57 0.87 -1.17 1.34 113.55 116.47 1xyd h SER 78 Ca 0.45 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.80 1xyd h SER 78 Cb 0.87 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1xyd h SER 78 CO -0.19 0.36 -0.80 -0.03 -0.53 0.00 0.00 176.83 175.64 1xyd h MET 79 N 0.12 0.13 0.03 2.24 -1.53 0.14 0.63 114.93 116.70 1xyd h MET 79 Ca 0.02 -0.13 -0.29 0.00 -3.44 0.00 0.00 59.70 55.87 1xyd h MET 79 Cb 0.46 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.51 1xyd h MET 79 CO 0.03 0.86 -1.57 -0.39 0.14 0.00 0.00 176.91 175.98 1xyd h VAL 80 N 0.08 1.05 -0.13 -5.77 -1.51 -0.55 -3.07 116.25 106.34 1xyd h VAL 80 Ca -0.03 -2.83 -0.19 0.00 -1.23 0.00 0.00 66.70 62.43 1xyd h VAL 80 Cb 1.39 2.57 -0.00 0.00 -2.13 0.00 0.00 31.29 33.12 1xyd h VAL 80 CO 0.12 0.68 -0.69 0.74 -1.23 0.00 0.00 177.57 177.19 1xyd h THR 81 N 0.02 1.33 -0.58 7.19 2.02 0.18 -2.87 112.91 120.21 1xyd h THR 81 Ca -0.24 -1.99 -0.10 0.00 0.77 0.00 0.00 66.41 64.85 1xyd h THR 81 Cb 1.97 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 70.33 1xyd h THR 81 CO 0.10 0.61 -0.03 0.71 0.37 0.00 0.00 175.52 177.29 1xyd h THR 82 N 0.40 1.26 -0.74 3.16 1.35 0.20 -2.04 112.91 116.50 1xyd h THR 82 Ca -0.02 -1.17 -0.06 0.00 -0.55 0.00 0.00 66.41 64.61 1xyd h THR 82 Cb 1.27 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 1xyd h THR 82 CO 0.13 0.42 0.23 0.00 -0.25 0.00 0.00 175.52 176.05 1xyd h ALA 83 N 1.02 0.97 0.00 6.62 0.00 -1.51 1.80 119.26 128.16 1xyd h ALA 83 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xyd h ALA 83 Cb 0.58 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xyd h ALA 83 CO 0.03 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 1xyd n HIS 85 N -3.52 0.63 -0.03 0.00 -0.00 -0.32 -3.84 115.22 108.14 1xyd n HIS 85 Ca -0.02 0.18 -0.14 0.00 -0.00 0.00 0.00 57.72 57.74 1xyd n HIS 85 Cb 0.23 -1.10 -0.11 0.00 -0.00 0.00 0.00 29.99 29.01 1xyd n HIS 85 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1xyd h GLU 86 N 0.02 0.12 -0.69 1.57 4.81 0.31 -3.25 114.58 117.46 1xyd h GLU 86 Ca -0.44 -0.12 0.13 0.00 -0.13 0.00 0.00 59.36 58.80 1xyd h GLU 86 Cb 2.06 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 31.38 1xyd h GLU 86 CO 0.04 0.85 0.24 0.35 -0.73 0.00 0.00 179.01 179.76 1xyd h PHE 87 N -0.56 0.41 0.00 0.92 3.57 -0.52 0.83 116.94 121.59 1xyd h PHE 87 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xyd h PHE 87 Cb 0.89 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1xyd h PHE 87 CO 0.18 0.04 0.07 0.34 -2.23 0.00 0.00 178.31 176.71 1xyd n PHE 88 N -5.04 0.30 0.41 0.41 7.35 -1.23 -0.35 117.46 119.31 1xyd n PHE 88 Ca 0.12 0.16 0.07 0.00 -0.76 0.00 0.00 57.45 57.04 1xyd n PHE 88 Cb 0.37 -0.69 -0.10 0.00 0.35 0.00 0.00 39.48 39.41 1xyd n PHE 88 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1xyd n GLU 89 N -1.79 1.34 -1.55 -4.13 1.02 0.28 -4.91 120.64 110.91 1xyd n GLU 89 Ca -0.01 -0.06 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 1xyd n GLU 89 Cb 0.08 -1.28 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1xyd n GLU 89 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xyd n HIS 90 N -1.65 1.45 1.13 -0.32 8.25 0.52 -5.12 115.22 119.49 1xyd n HIS 90 Ca 0.00 0.11 0.09 0.00 -0.26 0.00 0.00 57.72 57.66 1xyd n HIS 90 Cb 0.31 -2.63 0.54 0.00 1.12 0.00 0.00 29.99 29.33 1xyd n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37