#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyd s SER 1 N 0.00 6.82 0.64 6.12 1.04 -1.26 -4.78 113.70 122.27 1xyd s SER 1 Ca 0.00 -2.39 0.32 0.00 0.48 0.00 0.00 55.95 54.36 1xyd s SER 1 Cb 0.00 -2.46 1.77 0.00 0.10 0.00 0.00 66.02 65.43 1xyd s SER 1 CO 0.00 -1.03 2.04 -0.33 0.98 0.00 0.00 173.24 174.90 1xyd h GLU 2 N 8.11 0.00 0.00 4.02 5.08 -2.07 0.35 114.58 130.07 1xyd h GLU 2 Ca 0.28 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 1xyd h GLU 2 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1xyd h GLU 2 CO 1.27 0.00 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.69 1xyd h LEU 3 N 0.00 0.00 -0.44 1.33 -0.00 -2.01 -2.95 115.31 111.23 1xyd h LEU 3 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1xyd h LEU 3 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1xyd h LEU 3 CO -0.00 0.52 -0.07 -0.08 -0.00 0.00 0.00 178.44 178.81 1xyd h GLU 4 N 0.00 0.00 0.01 1.13 4.81 -0.70 -2.81 114.58 117.03 1xyd h GLU 4 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xyd h GLU 4 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1xyd h GLU 4 CO 0.07 0.07 -0.01 0.87 -0.73 0.00 0.00 179.01 179.29 1xyd h LYS 5 N 0.00 -0.02 0.49 1.92 1.79 -1.45 -3.01 116.57 116.29 1xyd h LYS 5 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1xyd h LYS 5 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1xyd h LYS 5 CO 0.01 0.70 -0.23 0.00 -1.08 0.00 0.00 179.45 178.84 1xyd h ALA 6 N 0.16 -0.65 -0.91 3.86 0.00 -1.57 -0.39 119.26 119.76 1xyd h ALA 6 Ca -0.00 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1xyd h ALA 6 Cb 0.73 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1xyd h ALA 6 CO 0.00 -0.78 0.59 0.52 0.00 0.00 0.00 179.25 179.58 1xyd h MET 7 N -0.82 0.55 0.05 0.00 2.86 -1.64 0.52 114.93 116.45 1xyd h MET 7 Ca -0.07 -0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.29 1xyd h MET 7 Cb 0.57 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 32.13 1xyd h MET 7 CO 0.11 0.36 -1.02 0.28 1.06 0.00 0.00 176.91 177.70 1xyd h VAL 8 N 0.56 1.32 -0.30 -2.22 2.07 -1.38 -2.56 116.25 113.75 1xyd h VAL 8 Ca 0.48 -2.31 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 1xyd h VAL 8 Cb 0.96 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1xyd h VAL 8 CO -0.22 0.70 0.02 0.00 0.02 0.00 0.00 177.57 178.09 1xyd h ALA 9 N 0.32 1.47 0.06 1.67 0.00 0.11 -3.04 119.26 119.86 1xyd h ALA 9 Ca -0.14 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1xyd h ALA 9 Cb 1.71 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1xyd h ALA 9 CO 0.20 0.38 -0.62 -0.07 0.00 0.00 0.00 179.25 179.14 1xyd h LEU 10 N 0.44 0.44 -1.15 0.00 4.07 -0.97 -3.16 115.31 114.99 1xyd h LEU 10 Ca 0.10 -0.86 0.31 0.00 0.08 0.00 0.00 57.88 57.51 1xyd h LEU 10 Cb 0.26 -0.14 -0.13 0.00 1.08 0.00 0.00 40.66 41.73 1xyd h LEU 10 CO 0.00 1.25 0.64 0.40 -1.08 0.00 0.00 178.44 179.66 1xyd h ILE 11 N -0.31 0.37 0.06 1.22 1.08 -1.34 2.67 117.51 121.26 1xyd h ILE 11 Ca -0.09 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1xyd h ILE 11 Cb 1.40 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1xyd h ILE 11 CO 0.12 0.06 -0.03 0.44 -0.69 0.00 0.00 178.15 178.05 1xyd h ASP 12 N 0.35 -0.07 0.81 1.72 5.19 -1.60 -0.39 116.42 122.44 1xyd h ASP 12 Ca 0.70 -0.54 -0.08 0.00 -0.62 0.00 0.00 57.03 56.49 1xyd h ASP 12 Cb 1.69 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.21 1xyd h ASP 12 CO -0.48 0.55 -0.38 0.58 -3.12 0.00 0.00 179.24 176.39 1xyd h VAL 13 N -0.73 0.91 -0.03 -1.35 2.07 -1.13 0.52 116.25 116.51 1xyd h VAL 13 Ca -0.01 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1xyd h VAL 13 Cb 0.60 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1xyd h VAL 13 CO 0.01 0.37 -0.08 0.15 0.02 0.00 0.00 177.57 178.05 1xyd h PHE 14 N 0.00 0.13 0.01 1.57 3.57 0.46 -2.80 116.94 119.89 1xyd h PHE 14 Ca -0.00 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.24 1xyd h PHE 14 Cb 0.89 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1xyd h PHE 14 CO 0.00 0.70 -0.95 1.25 -2.23 0.00 0.00 178.31 177.09 1xyd h HIS 15 N -0.48 0.06 -0.50 0.41 2.76 -1.03 -2.25 115.15 114.11 1xyd h HIS 15 Ca -0.00 -0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.01 1xyd h HIS 15 Cb 0.71 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 1xyd h HIS 15 CO 0.14 0.96 -0.14 1.96 -1.30 0.00 0.00 177.93 179.55 1xyd h GLN 16 N 0.01 0.98 0.01 5.26 1.08 -0.97 0.24 115.11 121.73 1xyd h GLN 16 Ca -0.02 -0.38 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1xyd h GLN 16 Cb 1.65 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.03 1xyd h GLN 16 CO 0.13 1.06 -0.01 1.88 -0.95 0.00 0.00 178.83 180.94 1xyd h TYR 17 N 0.84 -0.02 -0.32 2.96 -1.99 -1.57 -1.72 116.97 115.15 1xyd h TYR 17 Ca 0.12 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.95 1xyd h TYR 17 Cb 0.71 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1xyd h TYR 17 CO 0.05 0.67 0.27 0.77 -0.00 0.00 0.00 178.16 179.91 1xyd h SER 18 N -0.97 0.00 -0.07 3.88 0.02 -1.47 1.16 113.55 116.09 1xyd h SER 18 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xyd h SER 18 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1xyd h SER 18 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1xyd n GLY 19 N -1.54 -0.02 0.05 -3.77 0.00 0.86 -3.73 105.19 97.04 1xyd n GLY 19 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 1.97 -0.01 -2.39 1.61 2.43 0.24 -3.47 114.38 114.76 1xyd h ARG 20 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1xyd h ARG 20 Cb 0.43 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.81 1xyd h ARG 20 CO 0.00 0.32 0.21 -1.83 -1.51 0.00 0.00 179.97 177.16 1xyd s GLU 21 N -4.87 1.13 6.41 0.20 -1.05 -1.25 -5.10 118.70 114.17 1xyd s GLU 21 Ca -0.15 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1xyd s GLU 21 Cb 0.03 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1xyd s GLU 21 CO 0.67 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.87 1xyd n GLY 22 N 0.39 2.72 3.07 -3.83 0.00 -1.26 -4.79 105.19 101.49 1xyd n GLY 22 Ca -0.18 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1xyd n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xyd n ASP 23 N 3.02 -5.39 -0.06 1.61 8.00 -1.26 -4.91 116.55 117.55 1xyd n ASP 23 Ca 0.00 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1xyd n ASP 23 Cb 0.00 -0.79 -0.16 0.00 -0.02 0.00 0.00 41.12 40.14 1xyd n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1xyd n LYS 24 N 2.17 0.68 -1.62 -1.24 4.81 -1.24 -4.30 118.16 117.42 1xyd n LYS 24 Ca 0.01 -0.10 0.01 0.00 -0.87 0.00 0.00 58.31 57.35 1xyd n LYS 24 Cb 0.54 -1.52 0.07 0.00 0.02 0.00 0.00 35.03 34.14 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xyd n HIS 25 N -2.51 0.55 -4.12 5.64 8.25 -1.26 -3.43 115.22 118.34 1xyd n HIS 25 Ca -0.19 -1.25 -0.15 0.00 -0.26 0.00 0.00 57.72 55.88 1xyd n HIS 25 Cb 0.87 -0.21 -0.12 0.00 1.12 0.00 0.00 29.99 31.64 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xyd s LYS 26 N -1.92 0.55 -0.15 -0.41 2.47 -1.26 -4.46 119.74 114.56 1xyd s LYS 26 Ca 0.35 -0.62 -0.08 0.00 -1.56 0.00 0.00 55.97 54.07 1xyd s LYS 26 Cb 0.37 -0.41 -0.04 0.00 -1.46 0.00 0.00 37.83 36.29 1xyd s LYS 26 CO -0.10 0.09 0.13 -0.51 0.16 0.00 0.00 175.35 175.12 1xyd s LEU 27 N -1.16 4.31 0.21 5.43 1.02 -1.21 -4.34 118.68 122.93 1xyd s LEU 27 Ca -0.05 0.37 0.06 0.00 0.02 0.00 0.00 54.13 54.53 1xyd s LEU 27 Cb -0.08 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 1xyd s LEU 27 CO 0.00 0.32 0.15 -0.54 0.02 0.00 0.00 176.35 176.30 1xyd s LYS 28 N -0.50 2.85 0.24 1.70 1.02 -1.26 -3.00 119.74 120.79 1xyd s LYS 28 Ca 0.12 -1.00 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 1xyd s LYS 28 Cb -0.12 -2.56 0.32 0.00 -0.52 0.00 0.00 37.83 34.94 1xyd s LYS 28 CO 0.02 0.44 1.59 0.87 -0.92 0.00 0.00 175.35 177.34 1xyd h LYS 29 N 1.99 -0.02 0.00 1.68 1.57 -1.99 2.39 116.57 122.20 1xyd h LYS 29 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xyd h LYS 29 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1xyd h LYS 29 CO 0.62 -0.01 0.43 0.77 -0.57 0.00 0.00 179.45 180.68 1xyd h SER 30 N -0.02 0.00 0.00 0.86 0.02 -1.98 0.48 113.55 112.91 1xyd h SER 30 Ca 0.37 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.94 1xyd h SER 30 Cb 0.60 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 1xyd h SER 30 CO -0.85 0.00 -2.44 -0.62 -1.14 0.00 0.00 176.83 171.78 1xyd n GLU 31 N -2.17 0.66 0.01 3.45 1.02 0.80 -3.26 120.64 121.15 1xyd n GLU 31 Ca -0.01 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1xyd n GLU 31 Cb 0.45 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1xyd n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1xyd h LEU 32 N 0.00 -0.06 -0.62 -4.62 6.46 0.10 0.49 115.31 117.06 1xyd h LEU 32 Ca -0.57 -0.46 -0.14 0.00 -0.12 0.00 0.00 57.88 56.59 1xyd h LEU 32 Cb 2.02 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.95 1xyd h LEU 32 CO -0.05 0.45 -0.47 0.50 -0.62 0.00 0.00 178.44 178.25 1xyd h LYS 33 N -0.60 0.53 0.01 1.25 3.11 -1.19 -1.71 116.57 117.97 1xyd h LYS 33 Ca -0.01 -0.30 -0.19 0.00 -2.81 0.00 0.00 60.65 57.35 1xyd h LYS 33 Cb 0.52 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1xyd h LYS 33 CO 0.01 0.89 -0.88 1.49 -2.81 0.00 0.00 179.45 178.15 1xyd h GLU 34 N 0.42 0.09 -0.31 1.90 4.57 -1.56 -2.64 114.58 117.05 1xyd h GLU 34 Ca 0.02 -0.10 -0.17 0.00 -1.18 0.00 0.00 59.36 57.93 1xyd h GLU 34 Cb 0.98 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1xyd h GLU 34 CO 0.09 0.90 -0.47 1.25 -1.18 0.00 0.00 179.01 179.61 1xyd h LEU 35 N 0.05 0.90 -0.46 1.64 5.85 0.10 0.96 115.31 124.34 1xyd h LEU 35 Ca -0.03 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1xyd h LEU 35 Cb 1.52 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1xyd h LEU 35 CO 0.12 1.22 0.21 0.40 -0.34 0.00 0.00 178.44 180.05 1xyd h ILE 36 N 0.66 1.19 0.00 4.05 2.04 -1.27 -1.32 117.51 122.86 1xyd h ILE 36 Ca 0.04 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 1xyd h ILE 36 Cb 1.05 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1xyd h ILE 36 CO 0.10 0.22 -0.45 -1.13 0.00 0.00 0.00 178.15 176.89 1xyd h ASN 37 N 0.61 0.00 0.07 1.72 -1.24 -1.39 -1.76 115.58 113.58 1xyd h ASN 37 Ca 0.16 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.95 1xyd h ASN 37 Cb 0.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1xyd h ASN 37 CO -0.02 0.30 -1.13 -1.13 -1.29 0.00 0.00 177.43 174.16 1xyd h ASN 38 N 0.00 0.24 0.00 1.15 -0.00 -0.62 -3.37 115.58 112.99 1xyd h ASN 38 Ca -0.02 -0.80 0.00 0.00 -0.00 0.00 0.00 56.30 55.48 1xyd h ASN 38 Cb 1.24 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 1xyd h ASN 38 CO 0.04 1.48 -0.68 -0.62 -0.00 0.00 0.00 177.43 177.65 1xyd n GLU 39 N -4.15 0.36 -0.21 6.67 4.71 -0.51 -4.48 120.64 123.02 1xyd n GLU 39 Ca -0.24 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 1xyd n GLU 39 Cb 0.78 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 30.10 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xyd n LEU 40 N -4.03 3.21 0.23 -4.62 7.99 -1.14 -3.75 117.00 114.90 1xyd n LEU 40 Ca -0.09 -1.49 0.13 0.00 -0.01 0.00 0.00 56.01 54.54 1xyd n LEU 40 Cb 0.35 -0.64 0.29 0.00 -0.11 0.00 0.00 43.42 43.32 1xyd n LEU 40 CO 0.14 0.59 0.85 0.77 -1.51 0.00 0.00 177.39 178.23 1xyd h SER 41 N 1.25 0.00 0.06 -1.43 4.64 -1.48 0.40 113.55 116.99 1xyd h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xyd h SER 41 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1xyd h SER 41 CO 0.00 0.01 -1.72 1.41 -0.87 0.00 0.00 176.83 175.66 1xyd n HIS 42 N -3.10 0.05 -0.08 4.77 8.25 -1.25 -4.58 115.22 119.28 1xyd n HIS 42 Ca 0.03 0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 1xyd n HIS 42 Cb 0.48 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.11 0.00 -3.21 4.41 3.01 -1.18 -4.93 117.46 113.44 1xyd n PHE 43 Ca -0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 1xyd n PHE 43 Cb 0.52 -0.54 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 1xyd n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1xyd s LEU 44 N -7.54 4.29 0.33 4.37 1.43 0.14 -5.01 118.68 116.68 1xyd s LEU 44 Ca -0.26 0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 53.51 1xyd s LEU 44 Cb 0.06 -2.84 -0.13 0.00 0.03 0.00 0.00 46.19 43.31 1xyd s LEU 44 CO 0.36 -0.05 1.20 -1.84 0.23 0.00 0.00 176.35 176.25 1xyd n GLU 45 N 3.73 1.88 -1.91 1.70 0.28 -1.26 -4.18 120.64 120.88 1xyd n GLU 45 Ca -0.05 0.66 -0.41 0.00 -0.16 0.00 0.00 57.16 57.20 1xyd n GLU 45 Cb 0.51 -2.17 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 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 -1.78 2.96 0.21 3.44 -1.05 -1.26 -4.89 118.70 116.34 1xyd s GLU 46 Ca 0.56 1.28 -0.30 0.00 -0.15 0.00 0.00 54.97 56.37 1xyd s GLU 46 Cb -0.61 -4.32 -0.09 0.00 -0.44 0.00 0.00 34.13 28.67 1xyd s GLU 46 CO 0.62 -2.30 1.26 0.96 0.95 0.00 0.00 175.26 176.74 1xyd s ILE 47 N 8.33 3.30 -0.21 1.83 -4.36 -1.26 -4.90 121.20 123.93 1xyd s ILE 47 Ca 0.81 1.11 0.18 0.00 -0.26 0.00 0.00 60.65 62.49 1xyd s ILE 47 Cb -0.20 -3.71 -0.25 0.00 1.25 0.00 0.00 42.46 39.54 1xyd s ILE 47 CO 0.29 0.19 0.47 0.29 0.24 0.00 0.00 174.94 176.42 1xyd n LYS 48 N 2.33 0.72 -5.18 0.37 5.02 -1.26 -4.92 118.16 115.24 1xyd n LYS 48 Ca 0.04 -0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 1xyd n LYS 48 Cb 0.43 -1.39 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 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 -3.08 2.34 0.22 1.97 2.02 -1.26 -5.00 118.70 115.90 1xyd s GLU 49 Ca -0.03 -0.86 0.26 0.00 0.02 0.00 0.00 54.97 54.35 1xyd s GLU 49 Cb 0.12 -2.17 0.86 0.00 0.10 0.00 0.00 34.13 33.04 1xyd s GLU 49 CO 0.73 0.53 1.76 0.00 0.02 0.00 0.00 175.26 178.30 1xyd n GLN 50 N 2.54 0.24 -0.36 1.61 10.64 -1.26 -3.62 117.38 127.18 1xyd n GLN 50 Ca -0.17 0.26 0.29 0.00 -1.83 0.00 0.00 57.00 55.56 1xyd n GLN 50 Cb 0.52 -1.82 0.60 0.00 -0.86 0.00 0.00 30.24 28.67 1xyd n GLN 50 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1xyd h GLU 51 N 0.00 0.23 0.06 2.61 4.81 -1.97 1.29 114.58 121.60 1xyd h GLU 51 Ca 0.00 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.95 1xyd h GLU 51 Cb 0.64 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1xyd h GLU 51 CO 0.00 0.15 -1.11 -0.39 -0.73 0.00 0.00 179.01 176.93 1xyd h VAL 52 N 0.23 1.35 0.00 0.32 -1.51 -1.99 -0.77 116.25 113.88 1xyd h VAL 52 Ca 0.65 -2.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.61 1xyd h VAL 52 Cb 1.97 2.58 -0.00 0.00 -2.13 0.00 0.00 31.29 33.71 1xyd h VAL 52 CO -0.27 0.75 -0.11 1.62 -1.23 0.00 0.00 177.57 178.34 1xyd h VAL 53 N 0.26 0.48 0.02 7.19 3.04 0.75 0.67 116.25 128.65 1xyd h VAL 53 Ca -0.14 -0.53 -0.21 0.00 -1.01 0.00 0.00 66.70 64.81 1xyd h VAL 53 Cb 1.78 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 1xyd h VAL 53 CO 0.20 0.11 -0.95 -0.78 -1.01 0.00 0.00 177.57 175.14 1xyd h ASP 54 N 0.00 0.20 0.05 3.17 3.58 0.16 -2.50 116.42 121.08 1xyd h ASP 54 Ca -0.00 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1xyd h ASP 54 Cb 0.35 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xyd h ASP 54 CO 0.01 1.04 -0.03 0.50 -2.88 0.00 0.00 179.24 177.89 1xyd h LYS 55 N 0.07 -0.07 -0.92 0.28 3.11 0.66 -2.86 116.57 116.85 1xyd h LYS 55 Ca -0.05 0.00 0.21 0.00 -2.81 0.00 0.00 60.65 58.01 1xyd h LYS 55 Cb 1.63 0.02 -0.12 0.00 -1.00 0.00 0.00 32.23 32.75 1xyd h LYS 55 CO 0.14 0.36 0.46 -0.24 -2.81 0.00 0.00 179.45 177.36 1xyd h VAL 56 N -0.98 0.55 0.00 2.00 3.04 0.10 1.85 116.25 122.81 1xyd h VAL 56 Ca -0.01 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 1xyd h VAL 56 Cb 0.46 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1xyd h VAL 56 CO 0.01 0.09 -0.04 0.24 -1.01 0.00 0.00 177.57 176.87 1xyd h MET 57 N 0.50 0.00 -0.43 4.17 2.86 -1.50 0.18 114.93 120.71 1xyd h MET 57 Ca 0.56 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.08 1xyd h MET 57 Cb 1.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1xyd h MET 57 CO -0.48 0.04 -0.20 1.49 1.06 0.00 0.00 176.91 178.82 1xyd h GLU 58 N 0.00 0.84 0.00 1.72 4.57 0.31 2.50 114.58 124.52 1xyd h GLU 58 Ca -0.00 -0.33 -0.16 0.00 -1.18 0.00 0.00 59.36 57.69 1xyd h GLU 58 Cb 0.07 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1xyd h GLU 58 CO 0.00 0.96 -0.74 1.15 -1.18 0.00 0.00 179.01 179.21 1xyd h THR 59 N 0.73 1.32 0.01 0.32 2.02 -0.40 -3.37 112.91 113.55 1xyd h THR 59 Ca 0.10 -2.74 -0.40 0.00 0.77 0.00 0.00 66.41 64.14 1xyd h THR 59 Cb 0.72 2.57 -0.06 0.00 -1.74 0.00 0.00 68.15 69.64 1xyd h THR 59 CO 0.06 0.73 -2.36 0.18 0.37 0.00 0.00 175.52 174.49 1xyd n LEU 60 N -3.36 2.49 -4.54 2.58 7.99 0.45 -4.83 117.00 117.78 1xyd n LEU 60 Ca 0.01 0.11 -0.38 0.00 -0.01 0.00 0.00 56.01 55.74 1xyd n LEU 60 Cb 0.81 -0.91 -0.05 0.00 -0.11 0.00 0.00 43.42 43.16 1xyd n LEU 60 CO 0.43 0.75 2.05 -0.67 -1.51 0.00 0.00 177.39 178.44 1xyd n ASP 61 N -3.73 2.00 -0.02 -1.43 2.03 0.84 -4.71 116.55 111.53 1xyd n ASP 61 Ca -0.47 -0.32 -0.21 0.00 0.52 0.00 0.00 54.79 54.31 1xyd n ASP 61 Cb 0.94 -1.46 -0.13 0.00 -0.72 0.00 0.00 41.12 39.75 1xyd n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xyd n GLU 62 N 8.87 0.72 0.00 -0.67 1.02 -1.26 -3.71 120.64 125.61 1xyd n GLU 62 Ca 0.42 0.31 0.13 0.00 -0.02 0.00 0.00 57.16 58.00 1xyd n GLU 62 Cb 0.44 -1.70 0.68 0.00 -0.02 0.00 0.00 31.44 30.84 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xyd n ASP 63 N -3.64 0.00 -3.52 1.62 5.68 -1.26 -4.87 116.55 110.57 1xyd n ASP 63 Ca -0.33 -0.21 -0.21 0.00 -0.50 0.00 0.00 54.79 53.54 1xyd n ASP 63 Cb 0.99 -0.24 0.08 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.89 -0.46 0.40 6.12 0.00 -1.24 -4.88 105.19 106.01 1xyd n GLY 64 Ca 0.14 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.05 1.83 0.00 1.61 5.68 -1.26 -4.92 116.55 116.43 1xyd n ASP 65 Ca -0.12 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 1xyd n ASP 65 Cb 0.61 0.58 0.00 0.00 -1.14 0.00 0.00 41.12 41.17 1xyd n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xyd n GLY 66 N 1.44 0.39 3.65 6.12 0.00 -1.26 -4.93 105.19 110.60 1xyd n GLY 66 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.64 2.01 -0.45 1.61 2.02 -1.26 -4.77 118.70 117.22 1xyd s GLU 67 Ca 0.00 -2.18 0.02 0.00 0.02 0.00 0.00 54.97 52.83 1xyd s GLU 67 Cb 0.00 -1.52 0.13 0.00 0.10 0.00 0.00 34.13 32.84 1xyd s GLU 67 CO 0.00 -0.16 0.23 0.00 0.02 0.00 0.00 175.26 175.35 1xyd n ASP 69 N 3.50 -2.21 0.10 0.00 8.00 -1.26 -3.29 116.55 121.40 1xyd n ASP 69 Ca 0.07 -0.25 -0.04 0.00 0.71 0.00 0.00 54.79 55.28 1xyd n ASP 69 Cb 0.34 -0.36 0.09 0.00 -0.02 0.00 0.00 41.12 41.17 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1xyd h PHE 70 N -2.26 0.13 0.00 1.24 -5.15 -1.99 -0.30 116.94 108.62 1xyd h PHE 70 Ca -0.11 -0.06 -0.17 0.00 -0.20 0.00 0.00 57.97 57.42 1xyd h PHE 70 Cb 0.37 -0.02 -0.02 0.00 0.22 0.00 0.00 35.95 36.50 1xyd h PHE 70 CO 0.00 0.77 -0.82 -0.56 -2.00 0.00 0.00 178.31 175.70 1xyd h GLN 71 N 0.06 0.02 0.13 6.09 -0.00 -1.97 -2.56 115.11 116.88 1xyd h GLN 71 Ca -0.01 -0.02 -0.36 0.00 -0.00 0.00 0.00 58.65 58.25 1xyd h GLN 71 Cb 1.26 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.73 1xyd h GLN 71 CO 0.10 0.83 -1.93 1.49 -0.00 0.00 0.00 178.83 179.31 1xyd h GLU 72 N 0.01 0.27 -0.91 0.06 4.81 -1.87 -3.07 114.58 113.89 1xyd h GLU 72 Ca -0.01 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1xyd h GLU 72 Cb 1.45 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.94 1xyd h GLU 72 CO 0.11 1.22 0.59 0.35 -0.73 0.00 0.00 179.01 180.55 1xyd h PHE 73 N 0.02 1.08 0.00 0.92 3.57 -1.13 0.25 116.94 121.65 1xyd h PHE 73 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1xyd h PHE 73 Cb 2.01 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.39 1xyd h PHE 73 CO 0.08 0.61 0.00 1.98 -2.23 0.00 0.00 178.31 178.75 1xyd h MET 74 N 1.10 0.00 0.00 1.11 4.05 -1.58 -2.12 114.93 117.49 1xyd h MET 74 Ca 0.37 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.74 1xyd h MET 74 Cb 0.07 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1xyd h MET 74 CO -0.12 0.00 -0.22 0.00 0.23 0.00 0.00 176.91 176.80 1xyd h ALA 75 N 2.31 0.87 -0.00 0.39 0.00 -0.46 -3.12 119.26 119.25 1xyd h ALA 75 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xyd h ALA 75 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xyd h ALA 75 CO 0.00 0.27 -0.01 0.35 0.00 0.00 0.00 179.25 179.86 1xyd h PHE 76 N 0.00 0.02 -0.52 0.00 3.57 -0.50 -1.84 116.94 117.67 1xyd h PHE 76 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1xyd h PHE 76 Cb 1.11 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1xyd h PHE 76 CO 0.00 0.64 0.35 0.28 -2.23 0.00 0.00 178.31 177.35 1xyd h VAL 77 N -0.60 0.94 -0.63 1.41 2.07 -1.60 0.43 116.25 118.27 1xyd h VAL 77 Ca -0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1xyd h VAL 77 Cb 0.64 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1xyd h VAL 77 CO 0.00 0.07 0.19 0.28 0.02 0.00 0.00 177.57 178.13 1xyd h SER 78 N 0.39 0.88 0.55 0.57 0.02 -1.45 2.21 113.55 116.72 1xyd h SER 78 Ca 0.23 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1xyd h SER 78 Cb 0.41 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1xyd h SER 78 CO -0.06 0.83 -0.25 -0.03 -1.14 0.00 0.00 176.83 176.18 1xyd h MET 79 N 0.92 0.00 0.11 3.45 -1.53 0.63 1.39 114.93 119.91 1xyd h MET 79 Ca 0.21 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 56.15 1xyd h MET 79 Cb 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 1xyd h MET 79 CO -0.01 0.25 -1.58 0.28 0.14 0.00 0.00 176.91 176.00 1xyd h VAL 80 N 0.00 1.09 -0.18 -5.77 2.07 0.98 -3.03 116.25 111.41 1xyd h VAL 80 Ca -0.00 -2.75 -0.17 0.00 0.82 0.00 0.00 66.70 64.60 1xyd h VAL 80 Cb 0.60 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1xyd h VAL 80 CO 0.03 0.81 -0.58 0.74 0.02 0.00 0.00 177.57 178.59 1xyd h THR 81 N 0.07 1.32 -0.56 2.57 2.02 0.43 -3.07 112.91 115.69 1xyd h THR 81 Ca -0.26 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 64.99 1xyd h THR 81 Cb 2.02 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.22 1xyd h THR 81 CO 0.15 0.57 0.01 0.71 0.37 0.00 0.00 175.52 177.34 1xyd h THR 82 N 0.44 1.26 -0.03 3.16 1.35 0.18 -1.68 112.91 117.59 1xyd h THR 82 Ca 0.00 -1.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1xyd h THR 82 Cb 1.14 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1xyd h THR 82 CO 0.11 0.40 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 1xyd h ALA 83 N 0.97 1.95 0.00 6.62 0.00 -1.51 0.24 119.26 127.53 1xyd h ALA 83 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xyd h ALA 83 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xyd h ALA 83 CO 0.03 0.04 -0.18 0.00 0.00 0.00 0.00 179.25 179.14 1xyd h HIS 85 N 0.00 0.41 0.00 0.00 6.17 0.20 -3.29 115.15 118.63 1xyd h HIS 85 Ca -0.00 -0.30 -0.09 0.00 0.71 0.00 0.00 60.37 60.69 1xyd h HIS 85 Cb 0.96 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.87 1xyd h HIS 85 CO 0.00 1.47 -0.45 1.05 0.71 0.00 0.00 177.93 180.71 1xyd h GLU 86 N 0.06 0.00 0.49 5.26 -0.00 -0.74 -2.49 114.58 117.15 1xyd h GLU 86 Ca -0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.02 1xyd h GLU 86 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.79 1xyd h GLU 86 CO 0.13 0.45 -0.23 0.35 -0.00 0.00 0.00 179.01 179.70 1xyd h PHE 87 N 0.00 -0.61 -0.23 2.06 3.57 -1.38 0.87 116.94 121.22 1xyd h PHE 87 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1xyd h PHE 87 Cb 1.21 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1xyd h PHE 87 CO 0.00 -0.29 -0.35 0.35 -2.23 0.00 0.00 178.31 175.79 1xyd h PHE 88 N -0.87 0.58 -0.17 0.41 3.57 -1.65 -2.33 116.94 116.49 1xyd h PHE 88 Ca -0.07 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1xyd h PHE 88 Cb 0.59 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1xyd h PHE 88 CO -0.00 0.79 0.00 0.39 -2.23 0.00 0.00 178.31 177.26 1xyd n GLU 89 N -4.06 1.62 -1.53 1.11 1.02 -0.94 -4.85 120.64 113.01 1xyd n GLU 89 Ca -0.01 -0.94 -0.38 0.00 -0.02 0.00 0.00 57.16 55.81 1xyd n GLU 89 Cb 0.47 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.48 1xyd n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1xyd n HIS 90 N 0.18 1.16 0.87 -0.32 -0.00 0.30 -4.97 115.22 112.45 1xyd n HIS 90 Ca 0.15 0.20 0.07 0.00 0.46 0.00 0.00 57.72 58.60 1xyd n HIS 90 Cb 0.28 -2.56 0.42 0.00 -0.12 0.00 0.00 29.99 28.00 1xyd n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89