#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 5.08 -0.23 7.83 3.41 -1.26 -4.79 113.62 123.66 1xyd n SER 1 Ca 0.00 -2.98 0.23 0.00 -0.26 0.00 0.00 58.87 55.87 1xyd n SER 1 Cb 0.00 -1.60 0.59 0.00 -0.26 0.00 0.00 64.21 62.94 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 6.98 0.25 0.00 4.33 5.08 -2.06 0.67 114.58 129.83 1xyd h GLU 2 Ca 0.37 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1xyd h GLU 2 Cb 0.83 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1xyd h GLU 2 CO 1.38 0.16 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.47 1xyd h LEU 3 N 0.25 0.00 -0.34 1.33 4.07 -2.00 -2.90 115.31 115.71 1xyd h LEU 3 Ca 0.48 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 58.24 1xyd h LEU 3 Cb 1.43 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.17 1xyd h LEU 3 CO -0.13 0.01 -0.77 -0.08 -1.08 0.00 0.00 178.44 176.39 1xyd h GLU 4 N 0.00 0.43 -0.22 1.13 4.81 -0.03 -2.18 114.58 118.52 1xyd h GLU 4 Ca -0.00 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1xyd h GLU 4 Cb 0.61 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1xyd h GLU 4 CO 0.00 1.01 -0.10 0.87 -0.73 0.00 0.00 179.01 180.07 1xyd h LYS 5 N 0.29 0.45 0.53 1.92 1.57 -1.44 -2.59 116.57 117.30 1xyd h LYS 5 Ca -0.04 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1xyd h LYS 5 Cb 1.36 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.66 1xyd h LYS 5 CO 0.13 0.73 -0.26 0.00 -0.57 0.00 0.00 179.45 179.48 1xyd h ALA 6 N 0.71 -0.71 -1.00 3.86 0.00 -1.52 0.85 119.26 121.44 1xyd h ALA 6 Ca 0.05 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.00 1xyd h ALA 6 Cb 0.59 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1xyd h ALA 6 CO 0.03 -0.89 0.61 0.52 0.00 0.00 0.00 179.25 179.52 1xyd h MET 7 N -0.74 0.69 -0.21 0.00 2.86 -1.43 0.33 114.93 116.43 1xyd h MET 7 Ca -0.07 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1xyd h MET 7 Cb 0.56 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1xyd h MET 7 CO 0.12 0.46 -0.31 0.28 1.06 0.00 0.00 176.91 178.52 1xyd h VAL 8 N 0.71 1.33 -0.63 -2.22 2.07 -1.03 -1.80 116.25 114.67 1xyd h VAL 8 Ca 0.59 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1xyd h VAL 8 Cb 0.98 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1xyd h VAL 8 CO -0.39 0.47 0.42 0.00 0.02 0.00 0.00 177.57 178.09 1xyd h ALA 9 N 0.63 1.64 0.05 1.67 0.00 0.11 -3.06 119.26 120.30 1xyd h ALA 9 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1xyd h ALA 9 Cb 0.89 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xyd h ALA 9 CO 0.07 0.30 -0.29 -0.07 0.00 0.00 0.00 179.25 179.26 1xyd h LEU 10 N 0.76 0.15 -1.89 0.00 4.07 -1.02 -3.18 115.31 114.21 1xyd h LEU 10 Ca 0.25 -0.98 0.37 0.00 0.08 0.00 0.00 57.88 57.60 1xyd h LEU 10 Cb 0.05 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1xyd h LEU 10 CO -0.07 1.14 0.98 0.40 -1.08 0.00 0.00 178.44 179.81 1xyd h ILE 11 N -0.79 0.27 0.01 1.22 2.04 -1.23 2.85 117.51 121.87 1xyd h ILE 11 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xyd h ILE 11 Cb 1.22 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1xyd h ILE 11 CO 0.05 0.00 -0.00 -0.78 0.00 0.00 0.00 178.15 177.42 1xyd h ASP 12 N 0.00 -0.01 1.08 1.72 3.58 -1.61 -2.56 116.42 118.63 1xyd h ASP 12 Ca 0.60 -0.82 -0.09 0.00 0.42 0.00 0.00 57.03 57.14 1xyd h ASP 12 Cb 2.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.60 1xyd h ASP 12 CO -0.01 0.89 -0.43 0.58 -2.88 0.00 0.00 179.24 177.39 1xyd h VAL 13 N -0.97 0.89 -0.05 2.25 2.07 -0.83 -2.00 116.25 117.59 1xyd h VAL 13 Ca -0.00 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 1xyd h VAL 13 Cb 0.82 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1xyd h VAL 13 CO 0.00 0.43 -0.08 0.15 0.02 0.00 0.00 177.57 178.08 1xyd h PHE 14 N 0.00 0.19 -0.04 1.57 3.57 0.48 -2.62 116.94 120.09 1xyd h PHE 14 Ca -0.00 -0.06 -0.21 0.00 3.53 0.00 0.00 57.97 61.22 1xyd h PHE 14 Cb 1.09 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1xyd h PHE 14 CO 0.00 0.65 -0.85 1.25 -2.23 0.00 0.00 178.31 177.13 1xyd h HIS 15 N -0.34 0.61 -0.71 0.41 2.76 -1.48 -0.02 115.15 116.39 1xyd h HIS 15 Ca 0.00 -0.31 -0.07 0.00 -2.20 0.00 0.00 60.37 57.79 1xyd h HIS 15 Cb 0.64 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1xyd h HIS 15 CO 0.11 1.10 0.16 1.96 -1.30 0.00 0.00 177.93 179.96 1xyd h GLN 16 N 0.26 1.14 0.00 5.26 4.20 -1.43 1.10 115.11 125.64 1xyd h GLN 16 Ca -0.06 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 1xyd h GLN 16 Cb 1.47 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1xyd h GLN 16 CO 0.15 1.01 -0.12 1.88 -0.67 0.00 0.00 178.83 181.09 1xyd h TYR 17 N 1.08 0.00 -0.31 2.96 -1.99 -1.50 -1.84 116.97 115.37 1xyd h TYR 17 Ca 0.22 0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.04 1xyd h TYR 17 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1xyd h TYR 17 CO 0.03 0.72 0.23 0.77 -0.00 0.00 0.00 178.16 179.91 1xyd h SER 18 N -1.00 0.00 -0.21 3.88 0.02 -1.02 0.69 113.55 115.92 1xyd h SER 18 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1xyd h SER 18 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1xyd h SER 18 CO -0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1xyd n GLY 19 N -1.58 0.37 0.10 -3.77 0.00 0.38 -3.94 105.19 96.75 1xyd n GLY 19 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 2.17 -0.11 -3.74 1.61 2.43 0.13 -3.48 114.38 113.39 1xyd h ARG 20 Ca 0.00 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1xyd h ARG 20 Cb 0.48 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.95 1xyd h ARG 20 CO 0.00 0.38 -0.19 -1.83 -1.51 0.00 0.00 179.97 176.82 1xyd s GLU 21 N -3.85 1.41 3.15 0.20 -1.05 -1.26 -5.10 118.70 112.20 1xyd s GLU 21 Ca -0.15 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 1xyd s GLU 21 Cb 0.01 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1xyd s GLU 21 CO 0.60 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1xyd n GLY 22 N -0.33 1.00 3.17 -3.83 0.00 -1.26 -4.69 105.19 99.24 1xyd n GLY 22 Ca -0.04 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.21 -3.25 0.01 1.61 8.00 -1.26 -4.91 116.55 113.54 1xyd n ASP 23 Ca 0.00 0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.67 1xyd n ASP 23 Cb 0.00 -0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 40.18 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 0.25 0.31 -0.71 -1.24 4.81 -1.25 -4.44 118.16 115.89 1xyd n LYS 24 Ca 0.01 -0.06 0.06 0.00 -0.87 0.00 0.00 58.31 57.44 1xyd n LYS 24 Cb 0.63 -1.54 0.13 0.00 0.02 0.00 0.00 35.03 34.27 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 -1.90 0.00 -4.05 5.64 -0.00 -1.26 -3.49 115.22 110.15 1xyd n HIS 25 Ca 0.01 -1.03 -0.12 0.00 -0.00 0.00 0.00 57.72 56.57 1xyd n HIS 25 Cb 0.44 -0.19 -0.12 0.00 -0.00 0.00 0.00 29.99 30.13 1xyd n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1xyd s LYS 26 N -2.10 0.46 -0.06 -0.41 1.02 -1.26 -4.19 119.74 113.19 1xyd s LYS 26 Ca 0.33 -0.66 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 1xyd s LYS 26 Cb 0.32 -0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.37 1xyd s LYS 26 CO -0.07 0.04 0.42 -0.51 -0.92 0.00 0.00 175.35 174.30 1xyd s LEU 27 N -1.38 4.38 0.09 3.17 1.02 -1.18 -4.36 118.68 120.42 1xyd s LEU 27 Ca -0.10 0.85 0.01 0.00 0.02 0.00 0.00 54.13 54.92 1xyd s LEU 27 Cb -0.09 -2.60 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 1xyd s LEU 27 CO 0.00 0.18 0.22 -0.54 0.02 0.00 0.00 176.35 176.23 1xyd s LYS 28 N -0.27 3.38 0.23 1.70 3.01 -1.26 -3.28 119.74 123.25 1xyd s LYS 28 Ca 0.24 -0.53 -0.13 0.00 -1.01 0.00 0.00 55.97 54.54 1xyd s LYS 28 Cb -0.16 -2.98 0.30 0.00 -1.01 0.00 0.00 37.83 33.98 1xyd s LYS 28 CO 0.11 0.57 1.59 0.87 0.51 0.00 0.00 175.35 179.00 1xyd h LYS 29 N 2.76 -0.03 0.00 1.68 1.57 -1.98 2.39 116.57 122.96 1xyd h LYS 29 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1xyd h LYS 29 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1xyd h LYS 29 CO 0.72 -0.02 0.38 0.43 -0.57 0.00 0.00 179.45 180.40 1xyd n SER 30 N -5.51 0.19 -0.12 0.86 7.64 -1.26 0.01 113.62 115.43 1xyd n SER 30 Ca 0.10 0.41 -0.17 0.00 1.01 0.00 0.00 58.87 60.22 1xyd n SER 30 Cb 0.40 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.78 0.60 -0.04 1.43 1.02 0.80 -3.25 120.64 119.42 1xyd n GLU 31 Ca -0.00 0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 1xyd n GLU 31 Cb 0.39 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.04 0.23 -0.46 -4.62 6.46 0.53 1.62 115.31 119.03 1xyd h LEU 32 Ca -0.55 -0.38 -0.17 0.00 -0.12 0.00 0.00 57.88 56.66 1xyd h LEU 32 Cb 1.83 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.69 1xyd h LEU 32 CO -0.10 0.56 -0.64 0.50 -0.62 0.00 0.00 178.44 178.14 1xyd h LYS 33 N -0.10 0.49 0.00 1.25 3.11 -1.31 -2.06 116.57 117.96 1xyd h LYS 33 Ca 0.03 -0.35 -0.19 0.00 -2.81 0.00 0.00 60.65 57.33 1xyd h LYS 33 Cb 0.46 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1xyd h LYS 33 CO 0.01 0.97 -0.86 1.49 -2.81 0.00 0.00 179.45 178.25 1xyd h GLU 34 N 0.36 0.13 0.00 1.90 4.81 -1.51 -1.30 114.58 118.97 1xyd h GLU 34 Ca -0.01 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1xyd h GLU 34 Cb 1.20 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1xyd h GLU 34 CO 0.12 0.91 -0.45 1.25 -0.73 0.00 0.00 179.01 180.11 1xyd h LEU 35 N 0.07 0.00 0.05 1.64 5.85 0.24 0.85 115.31 124.01 1xyd h LEU 35 Ca -0.03 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.41 1xyd h LEU 35 Cb 1.49 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.55 1xyd h LEU 35 CO 0.13 0.45 -1.17 0.40 -0.34 0.00 0.00 178.44 177.90 1xyd h ILE 36 N 0.00 1.32 0.00 4.05 2.04 -1.18 -1.65 117.51 122.09 1xyd h ILE 36 Ca -0.00 -2.48 -0.20 0.00 1.00 0.00 0.00 64.86 63.18 1xyd h ILE 36 Cb 0.83 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.50 1xyd h ILE 36 CO 0.06 0.75 -1.20 -1.13 0.00 0.00 0.00 178.15 176.63 1xyd h ASN 37 N 0.27 0.00 0.05 1.72 -1.24 -0.97 -1.71 115.58 113.71 1xyd h ASN 37 Ca -0.16 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.63 1xyd h ASN 37 Cb 1.83 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.87 1xyd h ASN 37 CO 0.22 0.78 -1.17 -1.13 -1.29 0.00 0.00 177.43 174.84 1xyd h ASN 38 N 0.00 0.18 0.00 1.15 -0.73 0.63 -3.38 115.58 113.43 1xyd h ASN 38 Ca -0.12 -0.75 -0.21 0.00 1.87 0.00 0.00 56.30 57.08 1xyd h ASN 38 Cb 1.70 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 40.20 1xyd h ASN 38 CO 0.08 1.49 -1.71 1.21 -0.37 0.00 0.00 177.43 178.13 1xyd n GLU 39 N -4.20 0.27 0.00 6.67 4.07 -1.10 -4.51 120.64 121.85 1xyd n GLU 39 Ca -0.26 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 1xyd n GLU 39 Cb 0.76 -1.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.14 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1xyd n LEU 40 N -3.44 2.55 0.11 4.31 7.99 -0.64 -3.80 117.00 124.08 1xyd n LEU 40 Ca -0.24 -1.28 0.12 0.00 -0.01 0.00 0.00 56.01 54.60 1xyd n LEU 40 Cb 0.69 -0.49 0.21 0.00 -0.11 0.00 0.00 43.42 43.71 1xyd n LEU 40 CO 0.03 0.44 0.52 -1.28 -1.51 0.00 0.00 177.39 175.59 1xyd h SER 41 N 0.02 0.00 0.00 -1.43 0.87 -1.49 -2.15 113.55 109.37 1xyd h SER 41 Ca 0.00 -0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.32 1xyd h SER 41 Cb 0.89 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 1xyd h SER 41 CO 0.00 0.04 -2.14 1.41 -0.53 0.00 0.00 176.83 175.62 1xyd n HIS 42 N -2.41 0.00 -0.12 2.24 8.25 -1.25 -4.36 115.22 117.57 1xyd n HIS 42 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1xyd n HIS 42 Cb 0.47 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.45 0.00 -3.36 4.41 3.01 -1.25 -4.94 117.46 112.87 1xyd n PHE 43 Ca -0.16 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.92 1xyd n PHE 43 Cb 0.80 -0.87 -0.06 0.00 -0.01 0.00 0.00 39.48 39.35 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 -7.41 4.50 0.11 4.37 2.96 -0.81 -4.99 118.68 117.42 1xyd s LEU 44 Ca -0.35 1.14 -0.35 0.00 -0.22 0.00 0.00 54.13 54.35 1xyd s LEU 44 Cb 0.13 -2.79 -0.16 0.00 0.50 0.00 0.00 46.19 43.87 1xyd s LEU 44 CO 0.44 0.29 1.28 -0.62 -1.32 0.00 0.00 176.35 176.42 1xyd n GLU 45 N 1.73 1.16 -1.56 1.98 1.02 -1.26 -4.30 120.64 119.41 1xyd n GLU 45 Ca -0.12 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.31 1xyd n GLU 45 Cb 0.51 -2.01 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1xyd n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xyd n GLU 46 N 2.27 0.54 -1.87 3.49 2.13 -1.26 -4.88 120.64 121.06 1xyd n GLU 46 Ca 0.17 -0.88 -0.42 0.00 0.66 0.00 0.00 57.16 56.69 1xyd n GLU 46 Cb 0.21 -3.69 -0.03 0.00 0.27 0.00 0.00 31.44 28.20 1xyd n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xyd s ILE 47 N 14.86 2.86 -0.15 6.31 1.01 -1.26 -4.86 121.20 139.97 1xyd s ILE 47 Ca 0.93 0.36 0.14 0.00 0.00 0.00 0.00 60.65 62.07 1xyd s ILE 47 Cb -0.14 -3.23 -0.20 0.00 0.01 0.00 0.00 42.46 38.91 1xyd s ILE 47 CO 0.09 0.00 0.36 0.29 0.00 0.00 0.00 174.94 175.68 1xyd n LYS 48 N 5.51 0.91 -3.85 2.79 5.02 -1.26 -4.71 118.16 122.57 1xyd n LYS 48 Ca 0.16 -0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1xyd n LYS 48 Cb 0.40 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 1xyd n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xyd s GLU 49 N -2.79 3.49 -0.10 1.97 2.56 -1.26 -5.01 118.70 117.57 1xyd s GLU 49 Ca -0.03 -0.29 0.16 0.00 0.00 0.00 0.00 54.97 54.81 1xyd s GLU 49 Cb 0.09 -3.03 -0.23 0.00 2.00 0.00 0.00 34.13 32.96 1xyd s GLU 49 CO 0.56 0.61 0.40 0.00 -0.56 0.00 0.00 175.26 176.27 1xyd n GLN 50 N 0.55 0.66 -0.23 4.30 10.64 -1.26 -4.15 117.38 127.89 1xyd n GLN 50 Ca -0.07 0.12 0.31 0.00 -1.83 0.00 0.00 57.00 55.53 1xyd n GLN 50 Cb 0.52 -1.66 0.73 0.00 -0.86 0.00 0.00 30.24 28.97 1xyd n GLN 50 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1xyd h GLU 51 N 0.00 0.00 -0.05 2.61 4.39 -1.98 1.11 114.58 120.65 1xyd h GLU 51 Ca -0.38 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.10 1xyd h GLU 51 Cb 2.02 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.67 1xyd h GLU 51 CO 0.05 0.00 -0.87 -0.39 -1.16 0.00 0.00 179.01 176.64 1xyd h VAL 52 N 0.00 1.34 0.00 3.13 -1.51 -1.99 -0.06 116.25 117.17 1xyd h VAL 52 Ca 0.48 -2.22 -0.02 0.00 -1.23 0.00 0.00 66.70 63.70 1xyd h VAL 52 Cb 1.98 2.23 -0.00 0.00 -2.13 0.00 0.00 31.29 33.37 1xyd h VAL 52 CO -0.01 0.68 -0.09 1.62 -1.23 0.00 0.00 177.57 178.54 1xyd h VAL 53 N 0.35 0.37 0.11 7.19 3.04 0.96 0.95 116.25 129.22 1xyd h VAL 53 Ca -0.07 -0.51 -0.26 0.00 -1.01 0.00 0.00 66.70 64.84 1xyd h VAL 53 Cb 1.50 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1xyd h VAL 53 CO 0.16 0.09 -1.20 -0.78 -1.01 0.00 0.00 177.57 174.83 1xyd h ASP 54 N 0.00 0.36 0.02 3.17 3.58 -0.26 -2.85 116.42 120.45 1xyd h ASP 54 Ca -0.00 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.06 1xyd h ASP 54 Cb 0.36 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1xyd h ASP 54 CO 0.01 1.30 -0.01 0.50 -2.88 0.00 0.00 179.24 178.16 1xyd h LYS 55 N 0.06 -0.03 -0.89 0.28 3.11 0.91 -3.14 116.57 116.87 1xyd h LYS 55 Ca -0.11 0.00 0.20 0.00 -2.81 0.00 0.00 60.65 57.92 1xyd h LYS 55 Cb 1.94 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 33.06 1xyd h LYS 55 CO 0.19 0.68 0.43 -0.24 -2.81 0.00 0.00 179.45 177.71 1xyd h VAL 56 N -0.92 0.57 -0.53 2.00 3.04 0.71 2.00 116.25 123.13 1xyd h VAL 56 Ca -0.00 -0.17 0.12 0.00 -1.01 0.00 0.00 66.70 65.64 1xyd h VAL 56 Cb 0.73 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.01 1xyd h VAL 56 CO 0.01 0.09 0.37 0.24 -1.01 0.00 0.00 177.57 177.27 1xyd h MET 57 N 0.50 0.17 -0.55 4.17 2.86 -1.55 0.31 114.93 120.85 1xyd h MET 57 Ca 0.53 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.12 1xyd h MET 57 Cb 0.93 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1xyd h MET 57 CO -0.46 0.11 0.17 1.49 1.06 0.00 0.00 176.91 179.28 1xyd h GLU 58 N 0.18 0.83 0.05 1.72 4.57 0.33 2.44 114.58 124.68 1xyd h GLU 58 Ca 0.25 -0.15 -0.25 0.00 -1.18 0.00 0.00 59.36 58.03 1xyd h GLU 58 Cb 0.76 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1xyd h GLU 58 CO -0.04 0.72 -1.23 1.15 -1.18 0.00 0.00 179.01 178.43 1xyd h THR 59 N 0.80 1.47 0.04 0.32 2.02 -0.25 -3.38 112.91 113.93 1xyd h THR 59 Ca 0.18 -3.15 -0.35 0.00 0.77 0.00 0.00 66.41 63.86 1xyd h THR 59 Cb 0.24 2.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.41 1xyd h THR 59 CO -0.01 0.87 -2.00 0.18 0.37 0.00 0.00 175.52 174.94 1xyd n LEU 60 N -3.37 2.33 -4.53 2.58 7.99 0.21 -4.83 117.00 117.39 1xyd n LEU 60 Ca -0.07 0.23 -0.43 0.00 -0.01 0.00 0.00 56.01 55.73 1xyd n LEU 60 Cb 0.99 -0.97 -0.05 0.00 -0.11 0.00 0.00 43.42 43.28 1xyd n LEU 60 CO 0.49 0.64 1.91 -0.67 -1.51 0.00 0.00 177.39 178.25 1xyd n ASP 61 N -3.88 2.45 -0.07 -1.43 -0.08 0.82 -4.76 116.55 109.59 1xyd n ASP 61 Ca -0.40 0.07 -0.22 0.00 -1.51 0.00 0.00 54.79 52.74 1xyd n ASP 61 Cb 0.90 -1.43 -0.12 0.00 2.34 0.00 0.00 41.12 42.80 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 15.26 0.07 0.00 -0.67 4.81 -1.88 -3.30 114.58 128.87 1xyd h GLU 62 Ca -0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xyd h GLU 62 Cb 1.28 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1xyd h GLU 62 CO 1.06 1.06 0.00 -0.40 -0.73 0.00 0.00 179.01 180.00 1xyd n ASP 63 N -4.20 0.00 -3.72 1.04 5.68 -1.26 -4.84 116.55 109.25 1xyd n ASP 63 Ca -0.32 -0.57 -0.25 0.00 -0.50 0.00 0.00 54.79 53.15 1xyd n ASP 63 Cb 0.77 -0.09 0.05 0.00 -1.14 0.00 0.00 41.12 40.72 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 0.66 -0.47 0.49 6.12 0.00 -1.25 -4.85 105.19 105.90 1xyd n GLY 64 Ca 0.17 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.51 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 1.81 0.00 1.61 5.68 -1.26 -4.91 116.55 116.51 1xyd n ASP 65 Ca -0.06 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1xyd n ASP 65 Cb 0.58 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 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 1.36 0.27 3.42 6.12 0.00 -1.26 -4.96 105.19 110.14 1xyd n GLY 66 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.93 1.60 -0.49 1.61 0.41 -1.26 -4.75 118.70 114.89 1xyd s GLU 67 Ca 0.00 -1.88 0.03 0.00 -0.41 0.00 0.00 54.97 52.71 1xyd s GLU 67 Cb 0.00 -0.75 0.14 0.00 -1.78 0.00 0.00 34.13 31.75 1xyd s GLU 67 CO 0.00 -0.21 0.29 0.00 -0.49 0.00 0.00 175.26 174.85 1xyd n ASP 69 N 3.18 -2.15 0.10 0.00 2.03 -1.26 -3.13 116.55 115.32 1xyd n ASP 69 Ca 0.12 -0.24 -0.05 0.00 0.52 0.00 0.00 54.79 55.14 1xyd n ASP 69 Cb 0.35 -0.40 0.05 0.00 -0.72 0.00 0.00 41.12 40.41 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1xyd h PHE 70 N -2.23 0.08 -0.23 -0.67 -5.15 -1.98 0.26 116.94 107.02 1xyd h PHE 70 Ca -0.11 -0.04 -0.18 0.00 -0.20 0.00 0.00 57.97 57.44 1xyd h PHE 70 Cb 0.37 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 36.52 1xyd h PHE 70 CO 0.00 0.80 -0.57 0.37 -2.00 0.00 0.00 178.31 176.91 1xyd h GLN 71 N 0.03 0.72 0.11 6.09 4.15 -1.95 -2.77 115.11 121.49 1xyd h GLN 71 Ca -0.01 -0.47 -0.35 0.00 0.77 0.00 0.00 58.65 58.58 1xyd h GLN 71 Cb 1.36 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.09 1xyd h GLN 71 CO 0.11 1.09 -1.92 1.49 -1.93 0.00 0.00 178.83 177.67 1xyd h GLU 72 N 0.55 0.23 -0.62 1.69 4.81 -1.87 -3.25 114.58 116.11 1xyd h GLU 72 Ca 0.01 -0.39 0.10 0.00 -0.13 0.00 0.00 59.36 58.95 1xyd h GLU 72 Cb 1.15 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 1xyd h GLU 72 CO 0.12 1.10 0.20 0.35 -0.73 0.00 0.00 179.01 180.05 1xyd h PHE 73 N 0.06 0.34 -0.55 0.92 3.57 -0.55 0.51 116.94 121.25 1xyd h PHE 73 Ca -0.39 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.19 1xyd h PHE 73 Cb 2.04 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.67 1xyd h PHE 73 CO 0.07 0.05 0.29 1.98 -2.23 0.00 0.00 178.31 178.47 1xyd h MET 74 N 0.36 0.55 0.00 1.11 4.05 -1.63 0.50 114.93 119.87 1xyd h MET 74 Ca 0.32 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1xyd h MET 74 Cb 0.43 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1xyd h MET 74 CO -0.35 0.36 0.38 0.00 0.23 0.00 0.00 176.91 177.53 1xyd h ALA 75 N 1.29 1.35 0.14 0.39 0.00 -0.03 -0.77 119.26 121.63 1xyd h ALA 75 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xyd h ALA 75 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xyd h ALA 75 CO -0.16 -0.35 -0.07 0.35 0.00 0.00 0.00 179.25 179.03 1xyd h PHE 76 N 0.00 -0.18 -0.63 0.00 3.57 0.82 -2.38 116.94 118.14 1xyd h PHE 76 Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1xyd h PHE 76 Cb 0.75 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1xyd h PHE 76 CO 0.00 0.22 0.43 0.28 -2.23 0.00 0.00 178.31 177.01 1xyd h VAL 77 N -0.94 0.83 -0.28 1.41 2.07 -1.15 0.31 116.25 118.51 1xyd h VAL 77 Ca -0.02 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1xyd h VAL 77 Cb 0.48 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1xyd h VAL 77 CO 0.03 0.06 -0.11 0.77 0.02 0.00 0.00 177.57 178.34 1xyd h SER 78 N 0.32 0.45 0.73 0.57 4.64 -1.34 1.65 113.55 120.55 1xyd h SER 78 Ca 0.30 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1xyd h SER 78 Cb 0.74 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1xyd h SER 78 CO -0.07 0.60 -0.53 -0.03 -0.87 0.00 0.00 176.83 175.92 1xyd h MET 79 N 0.43 0.00 0.10 4.77 -1.53 0.13 0.50 114.93 119.33 1xyd h MET 79 Ca 0.08 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 56.04 1xyd h MET 79 Cb 0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.50 1xyd h MET 79 CO 0.03 0.53 -1.56 0.28 0.14 0.00 0.00 176.91 176.33 1xyd h VAL 80 N 0.00 1.11 -0.27 -5.77 2.07 -0.24 -3.13 116.25 110.02 1xyd h VAL 80 Ca -0.01 -2.78 -0.13 0.00 0.82 0.00 0.00 66.70 64.60 1xyd h VAL 80 Cb 1.03 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 1xyd h VAL 80 CO 0.07 0.79 -0.38 0.74 0.02 0.00 0.00 177.57 178.81 1xyd h THR 81 N 0.06 1.29 -0.62 2.57 2.02 0.26 -2.50 112.91 115.99 1xyd h THR 81 Ca -0.25 -1.53 -0.07 0.00 0.77 0.00 0.00 66.41 65.33 1xyd h THR 81 Cb 2.00 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1xyd h THR 81 CO 0.14 0.49 0.11 0.71 0.37 0.00 0.00 175.52 177.34 1xyd h THR 82 N 0.51 1.26 -0.05 3.16 1.35 -0.06 -1.72 112.91 117.36 1xyd h THR 82 Ca 0.05 -0.99 -0.11 0.00 -0.55 0.00 0.00 66.41 64.82 1xyd h THR 82 Cb 0.88 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1xyd h THR 82 CO 0.08 0.37 -0.46 0.00 -0.25 0.00 0.00 175.52 175.25 1xyd h ALA 83 N 1.03 1.13 0.00 6.62 0.00 -1.48 1.11 119.26 127.68 1xyd h ALA 83 Ca 0.19 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xyd h ALA 83 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xyd h ALA 83 CO 0.01 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 1xyd n HIS 85 N -3.12 0.00 -0.03 0.00 -0.00 -0.68 -3.71 115.22 107.67 1xyd n HIS 85 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 1xyd n HIS 85 Cb 0.33 -0.74 -0.11 0.00 -0.00 0.00 0.00 29.99 29.47 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 0.00 0.10 0.00 1.57 4.81 0.13 -0.04 114.58 121.15 1xyd h GLU 86 Ca -0.41 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 1xyd h GLU 86 Cb 1.91 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.30 1xyd h GLU 86 CO 0.02 0.85 -0.61 0.35 -0.73 0.00 0.00 179.01 178.88 1xyd h PHE 87 N -0.60 0.00 0.13 0.92 3.57 -1.47 -3.13 116.94 116.36 1xyd h PHE 87 Ca -0.02 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.21 1xyd h PHE 87 Cb 0.89 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.64 1xyd h PHE 87 CO 0.18 0.61 -1.24 0.35 -2.23 0.00 0.00 178.31 175.98 1xyd h PHE 88 N 0.00 0.58 0.00 0.41 3.57 -1.64 -3.36 116.94 116.51 1xyd h PHE 88 Ca -0.01 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1xyd h PHE 88 Cb 1.11 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1xyd h PHE 88 CO 0.00 1.31 0.00 -1.91 -2.23 0.00 0.00 178.31 175.48 1xyd n GLU 89 N -3.59 0.00 -2.16 1.11 2.13 -0.03 -4.46 120.64 113.64 1xyd n GLU 89 Ca -0.09 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.34 1xyd n GLU 89 Cb 1.01 -0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.69 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1xyd s HIS 90 N 0.00 1.82 -2.34 4.31 2.46 -1.20 -5.06 115.29 115.27 1xyd s HIS 90 Ca 0.00 0.56 0.29 0.00 0.47 0.00 0.00 55.06 56.39 1xyd s HIS 90 Cb 0.00 -4.22 1.32 0.00 -0.13 0.00 0.00 32.58 29.56 1xyd s HIS 90 CO 0.00 -2.22 1.90 -0.85 -2.47 0.00 0.00 174.74 171.10