#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 7.03 0.47 7.83 1.04 -1.26 -4.80 113.70 124.00 1xyd s SER 1 Ca 0.00 -2.89 0.25 0.00 0.48 0.00 0.00 55.95 53.79 1xyd s SER 1 Cb 0.00 -2.42 1.28 0.00 0.10 0.00 0.00 66.02 64.98 1xyd s SER 1 CO 0.00 -0.81 1.84 -0.33 0.98 0.00 0.00 173.24 174.91 1xyd h GLU 2 N 7.28 0.21 0.00 4.02 5.08 -2.07 0.44 114.58 129.54 1xyd h GLU 2 Ca 0.33 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1xyd h GLU 2 Cb 0.88 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xyd h GLU 2 CO 1.27 0.14 -0.07 1.25 -1.00 0.00 0.00 179.01 180.59 1xyd h LEU 3 N 0.22 0.00 -0.69 1.33 7.12 -2.01 -2.99 115.31 118.28 1xyd h LEU 3 Ca 0.50 0.00 -0.14 0.00 0.13 0.00 0.00 57.88 58.38 1xyd h LEU 3 Cb 1.59 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.71 1xyd h LEU 3 CO -0.13 0.07 -0.51 -0.08 -0.13 0.00 0.00 178.44 177.66 1xyd h GLU 4 N 0.00 0.36 -0.16 1.25 4.57 -0.51 -2.96 114.58 117.13 1xyd h GLU 4 Ca -0.00 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.89 1xyd h GLU 4 Cb 0.65 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1xyd h GLU 4 CO 0.01 0.79 -0.19 0.87 -1.18 0.00 0.00 179.01 179.31 1xyd h LYS 5 N 0.29 0.42 0.20 1.92 1.57 -1.56 -2.60 116.57 116.81 1xyd h LYS 5 Ca 0.01 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1xyd h LYS 5 Cb 1.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1xyd h LYS 5 CO 0.09 0.80 -0.33 0.00 -0.57 0.00 0.00 179.45 179.44 1xyd h ALA 6 N 0.61 -0.62 -0.81 3.86 0.00 -1.50 0.48 119.26 121.27 1xyd h ALA 6 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1xyd h ALA 6 Cb 0.74 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1xyd h ALA 6 CO 0.05 -0.90 0.53 0.00 0.00 0.00 0.00 179.25 178.93 1xyd h MET 7 N -0.61 0.88 0.26 0.00 -0.00 -1.59 0.22 114.93 114.09 1xyd h MET 7 Ca 0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1xyd h MET 7 Cb 0.60 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 1xyd h MET 7 CO -0.15 0.58 -0.13 0.28 -0.00 0.00 0.00 176.91 177.50 1xyd h VAL 8 N 0.91 0.75 -0.10 -0.10 2.07 -0.88 0.33 116.25 119.23 1xyd h VAL 8 Ca 0.34 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1xyd h VAL 8 Cb 0.19 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xyd h VAL 8 CO -0.12 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.69 1xyd h ALA 9 N -0.19 2.02 0.02 1.67 0.00 0.26 -2.81 119.26 120.24 1xyd h ALA 9 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xyd h ALA 9 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xyd h ALA 9 CO 0.06 -0.04 -0.11 -0.07 0.00 0.00 0.00 179.25 179.08 1xyd h LEU 10 N 0.06 0.07 -1.33 0.00 3.38 -0.41 -3.17 115.31 113.91 1xyd h LEU 10 Ca 0.04 -0.97 0.34 0.00 0.09 0.00 0.00 57.88 57.38 1xyd h LEU 10 Cb 0.10 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 1xyd h LEU 10 CO -0.00 1.04 0.73 0.40 0.09 0.00 0.00 178.44 180.69 1xyd h ILE 11 N -0.89 0.33 0.05 1.22 1.08 -0.07 2.45 117.51 121.67 1xyd h ILE 11 Ca -0.02 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1xyd h ILE 11 Cb 1.07 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1xyd h ILE 11 CO 0.02 0.05 -0.02 0.44 -0.69 0.00 0.00 178.15 177.95 1xyd h ASP 12 N 0.26 -0.05 0.88 1.72 3.32 -1.59 -1.39 116.42 119.56 1xyd h ASP 12 Ca 0.71 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1xyd h ASP 12 Cb 1.96 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.51 1xyd h ASP 12 CO -0.39 0.41 -0.41 0.58 -1.72 0.00 0.00 179.24 177.72 1xyd h VAL 13 N -0.54 0.92 -0.20 -1.35 2.07 -0.47 -1.30 116.25 115.39 1xyd h VAL 13 Ca -0.01 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.78 1xyd h VAL 13 Cb 0.48 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1xyd h VAL 13 CO 0.01 0.40 -0.28 -0.26 0.02 0.00 0.00 177.57 177.46 1xyd h PHE 14 N 0.00 0.66 0.15 1.57 -1.00 0.41 -2.80 116.94 115.93 1xyd h PHE 14 Ca -0.00 -0.22 -0.29 0.00 2.81 0.00 0.00 57.97 60.26 1xyd h PHE 14 Cb 0.96 -0.13 0.03 0.00 3.61 0.00 0.00 35.95 40.42 1xyd h PHE 14 CO 0.00 0.93 -1.25 1.25 -1.61 0.00 0.00 178.31 177.63 1xyd h HIS 15 N 0.21 0.96 -0.83 -0.55 2.76 -1.21 0.05 115.15 116.54 1xyd h HIS 15 Ca 0.02 -0.63 0.03 0.00 -2.20 0.00 0.00 60.37 57.58 1xyd h HIS 15 Cb 0.86 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 1xyd h HIS 15 CO 0.09 1.48 0.53 1.96 -1.30 0.00 0.00 177.93 180.69 1xyd h GLN 16 N 0.18 1.03 0.00 5.26 1.08 -1.32 1.16 115.11 122.49 1xyd h GLN 16 Ca -0.20 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 56.89 1xyd h GLN 16 Cb 1.94 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 1xyd h GLN 16 CO 0.24 0.68 -0.48 1.88 -0.95 0.00 0.00 178.83 180.19 1xyd h TYR 17 N 1.06 0.00 -0.09 2.96 -1.99 -1.58 -2.10 116.97 115.23 1xyd h TYR 17 Ca 0.32 0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.08 1xyd h TYR 17 Cb -0.03 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.70 1xyd h TYR 17 CO -0.02 0.47 0.08 0.77 -0.00 0.00 0.00 178.16 179.46 1xyd h SER 18 N -1.00 0.00 -0.02 3.88 0.02 -1.03 0.32 113.55 115.72 1xyd h SER 18 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1xyd h SER 18 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1xyd h SER 18 CO -0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.25 1xyd n GLY 19 N -1.42 0.42 0.16 -3.77 0.00 0.40 -2.94 105.19 98.04 1xyd n GLY 19 Ca -0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 3.31 0.45 -2.27 1.61 2.43 0.37 -3.46 114.38 116.83 1xyd h ARG 20 Ca 0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1xyd h ARG 20 Cb 0.70 -0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 30.00 1xyd h ARG 20 CO 0.00 0.44 0.24 -2.00 -1.51 0.00 0.00 179.97 177.14 1xyd s GLU 21 N -5.64 1.08 0.00 0.20 2.56 -1.26 -5.09 118.70 110.55 1xyd s GLU 21 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.97 54.85 1xyd s GLU 21 Cb 0.09 0.50 0.00 0.00 2.00 0.00 0.00 34.13 36.72 1xyd s GLU 21 CO 0.73 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 175.45 1xyd n GLY 22 N 0.47 0.05 0.00 -1.50 0.00 -1.26 -4.69 105.19 98.26 1xyd n GLY 22 Ca -0.17 -2.29 -0.00 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.01 0.00 1.61 3.58 -1.92 -3.44 116.42 116.24 1xyd h ASP 23 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xyd h ASP 23 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1xyd h ASP 23 CO 0.00 -0.00 0.00 1.17 -2.88 0.00 0.00 179.24 177.53 1xyd n LYS 24 N -2.64 0.00 -2.70 0.28 0.00 -1.26 -5.03 118.16 106.81 1xyd n LYS 24 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1xyd n LYS 24 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.13 1xyd n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1xyd n HIS 25 N 0.00 -1.77 -4.06 5.64 -0.00 -1.23 -4.30 115.22 109.50 1xyd n HIS 25 Ca 0.00 -1.44 -0.13 0.00 0.46 0.00 0.00 57.72 56.61 1xyd n HIS 25 Cb 0.01 1.41 -0.12 0.00 -0.12 0.00 0.00 29.99 31.16 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1xyd s LYS 26 N 0.20 0.44 -0.20 1.57 2.47 -1.15 -4.62 119.74 118.45 1xyd s LYS 26 Ca 0.23 -0.57 -0.11 0.00 -1.56 0.00 0.00 55.97 53.95 1xyd s LYS 26 Cb 0.28 -0.24 -0.05 0.00 -1.46 0.00 0.00 37.83 36.36 1xyd s LYS 26 CO -0.13 0.05 0.18 -0.51 0.16 0.00 0.00 175.35 175.10 1xyd s LEU 27 N -1.16 4.19 0.28 5.43 1.02 -1.21 -4.45 118.68 122.78 1xyd s LEU 27 Ca -0.08 0.27 0.09 0.00 0.02 0.00 0.00 54.13 54.42 1xyd s LEU 27 Cb -0.08 -2.17 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 1xyd s LEU 27 CO 0.00 0.12 0.07 -0.54 0.02 0.00 0.00 176.35 176.03 1xyd s LYS 28 N 0.60 2.46 0.30 1.70 1.02 -1.26 -2.21 119.74 122.36 1xyd s LYS 28 Ca 0.10 -1.36 0.06 0.00 0.02 0.00 0.00 55.97 54.80 1xyd s LYS 28 Cb -0.12 -2.26 0.82 0.00 -0.52 0.00 0.00 37.83 35.74 1xyd s LYS 28 CO 0.01 0.32 1.68 0.87 -0.92 0.00 0.00 175.35 177.31 1xyd h LYS 29 N 1.72 0.34 0.00 1.68 1.57 -1.98 2.09 116.57 121.99 1xyd h LYS 29 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xyd h LYS 29 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1xyd h LYS 29 CO 0.61 0.23 0.29 0.66 -0.57 0.00 0.00 179.45 180.67 1xyd h SER 30 N 0.35 0.00 0.01 0.86 4.64 -1.98 0.13 113.55 117.56 1xyd h SER 30 Ca 0.60 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.54 1xyd h SER 30 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 1xyd h SER 30 CO -0.57 0.00 -2.42 -0.62 -0.87 0.00 0.00 176.83 172.34 1xyd n GLU 31 N -2.74 0.67 0.17 4.77 1.02 0.69 -3.25 120.64 121.98 1xyd n GLU 31 Ca -0.02 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1xyd n GLU 31 Cb 0.33 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.40 -0.93 -4.62 6.46 0.64 0.77 115.31 117.23 1xyd h LEU 32 Ca -0.56 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 56.94 1xyd h LEU 32 Cb 2.05 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 42.07 1xyd h LEU 32 CO -0.03 -0.00 -0.33 0.50 -0.62 0.00 0.00 178.44 177.95 1xyd h LYS 33 N -0.87 0.37 0.03 1.25 3.64 -1.09 -1.35 116.57 118.54 1xyd h LYS 33 Ca -0.05 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 58.96 1xyd h LYS 33 Cb 0.53 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1xyd h LYS 33 CO 0.08 0.67 -0.97 1.49 -2.27 0.00 0.00 179.45 178.44 1xyd h GLU 34 N 0.32 0.19 -0.22 1.90 4.81 -1.52 -2.24 114.58 117.82 1xyd h GLU 34 Ca 0.04 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.89 1xyd h GLU 34 Cb 0.75 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1xyd h GLU 34 CO 0.06 1.02 -0.45 1.25 -0.73 0.00 0.00 179.01 180.16 1xyd h LEU 35 N 0.09 0.59 -0.43 1.64 5.85 0.75 0.62 115.31 124.42 1xyd h LEU 35 Ca -0.06 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 1xyd h LEU 35 Cb 1.64 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1xyd h LEU 35 CO 0.15 0.95 -0.30 0.40 -0.34 0.00 0.00 178.44 179.30 1xyd h ILE 36 N 0.44 1.27 0.00 4.05 2.04 -1.20 -1.55 117.51 122.56 1xyd h ILE 36 Ca 0.03 -1.47 -0.11 0.00 1.00 0.00 0.00 64.86 64.32 1xyd h ILE 36 Cb 0.96 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1xyd h ILE 36 CO 0.09 0.50 -0.66 0.78 0.00 0.00 0.00 178.15 178.85 1xyd h ASN 37 N 0.79 0.00 0.05 1.72 2.35 -1.27 -0.98 115.58 118.24 1xyd h ASN 37 Ca 0.08 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.52 1xyd h ASN 37 Cb 0.89 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 1xyd h ASN 37 CO 0.08 0.46 -1.72 0.59 -1.65 0.00 0.00 177.43 175.19 1xyd n ASN 38 N -3.13 1.98 -0.02 5.81 4.13 0.20 -4.43 115.26 119.80 1xyd n ASN 38 Ca -0.00 0.30 -0.04 0.00 1.68 0.00 0.00 54.58 56.52 1xyd n ASN 38 Cb 0.73 -0.89 -0.01 0.00 -1.54 0.00 0.00 39.78 38.07 1xyd n ASN 38 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1xyd n GLU 39 N -3.97 0.25 0.00 3.52 2.13 -0.64 -4.52 120.64 117.41 1xyd n GLU 39 Ca -0.34 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.58 1xyd n GLU 39 Cb 0.86 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.63 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1xyd n LEU 40 N -3.95 1.62 0.10 4.31 7.99 -0.84 -3.30 117.00 122.92 1xyd n LEU 40 Ca -0.07 -0.81 0.12 0.00 -0.01 0.00 0.00 56.01 55.24 1xyd n LEU 40 Cb 0.25 -0.29 0.13 0.00 -0.11 0.00 0.00 43.42 43.39 1xyd n LEU 40 CO 0.10 0.28 0.32 -1.28 -1.51 0.00 0.00 177.39 175.30 1xyd h SER 41 N 0.78 0.00 0.68 -1.43 0.87 -1.34 -0.34 113.55 112.77 1xyd h SER 41 Ca 0.00 -0.11 -0.20 0.00 -1.23 0.00 0.00 61.79 60.25 1xyd h SER 41 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1xyd h SER 41 CO 0.00 0.05 -1.45 1.12 -0.53 0.00 0.00 176.83 176.03 1xyd h HIS 42 N 0.00 0.00 0.00 2.24 -0.00 -1.85 -3.41 115.15 112.13 1xyd h HIS 42 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 60.07 1xyd h HIS 42 Cb 0.86 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.22 1xyd h HIS 42 CO 0.00 0.71 -2.02 1.19 -0.00 0.00 0.00 177.93 177.81 1xyd n PHE 43 N -2.96 0.00 -3.10 6.12 3.01 -1.25 -4.96 117.46 114.31 1xyd n PHE 43 Ca -0.11 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.96 1xyd n PHE 43 Cb 0.90 -0.66 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 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 -6.75 4.44 0.21 4.37 2.96 -0.14 -4.99 118.68 118.78 1xyd s LEU 44 Ca -0.25 1.31 -0.32 0.00 -0.22 0.00 0.00 54.13 54.65 1xyd s LEU 44 Cb 0.09 -3.07 -0.15 0.00 0.50 0.00 0.00 46.19 43.56 1xyd s LEU 44 CO 0.34 0.08 1.20 -0.62 -1.32 0.00 0.00 176.35 176.03 1xyd n GLU 45 N 2.67 1.40 -1.46 1.98 1.02 -1.26 -4.21 120.64 120.78 1xyd n GLU 45 Ca -0.05 0.50 -0.12 0.00 -0.02 0.00 0.00 57.16 57.47 1xyd n GLU 45 Cb 0.51 -2.02 -0.09 0.00 -0.02 0.00 0.00 31.44 29.81 1xyd n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xyd n GLU 46 N 1.67 0.16 -1.69 3.49 4.71 -1.26 -4.84 120.64 122.87 1xyd n GLU 46 Ca 0.13 -1.09 -0.43 0.00 -0.01 0.00 0.00 57.16 55.77 1xyd n GLU 46 Cb 0.27 -3.12 -0.03 0.00 -1.01 0.00 0.00 31.44 27.55 1xyd n GLU 46 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1xyd n ILE 47 N 7.90 0.33 0.10 -3.67 5.41 -1.26 -4.83 119.36 123.33 1xyd n ILE 47 Ca 0.36 -0.06 0.02 0.00 1.00 0.00 0.00 62.75 64.07 1xyd n ILE 47 Cb 0.44 -2.07 -0.03 0.00 -0.71 0.00 0.00 39.64 37.27 1xyd n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1xyd n LYS 48 N 5.45 2.53 -4.05 0.38 5.02 -1.26 -4.71 118.16 121.52 1xyd n LYS 48 Ca 0.18 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 1xyd n LYS 48 Cb 0.36 -0.94 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.93 2.91 0.12 1.97 0.41 -1.26 -5.01 118.70 115.90 1xyd s GLU 49 Ca -0.00 -0.67 0.15 0.00 -0.41 0.00 0.00 54.97 54.04 1xyd s GLU 49 Cb 0.03 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.55 1xyd s GLU 49 CO 0.20 0.57 1.02 1.96 -0.49 0.00 0.00 175.26 178.52 1xyd h GLN 50 N 3.33 0.00 -1.07 1.61 4.20 -1.99 -3.36 115.11 117.84 1xyd h GLN 50 Ca -0.47 0.00 0.39 0.00 0.06 0.00 0.00 58.65 58.63 1xyd h GLN 50 Cb 1.16 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.79 1xyd h GLN 50 CO 0.66 0.41 0.62 0.93 -0.67 0.00 0.00 178.83 180.78 1xyd h GLU 51 N 0.00 0.14 -0.05 1.46 4.39 -1.97 2.05 114.58 120.60 1xyd h GLU 51 Ca -0.11 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.33 1xyd h GLU 51 Cb 1.56 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1xyd h GLU 51 CO 0.06 0.09 -0.94 -0.24 -1.16 0.00 0.00 179.01 176.82 1xyd h VAL 52 N 0.14 1.30 0.00 3.13 3.04 -1.99 -0.66 116.25 121.21 1xyd h VAL 52 Ca 0.80 -2.20 -0.03 0.00 -1.01 0.00 0.00 66.70 64.26 1xyd h VAL 52 Cb 2.10 2.26 -0.00 0.00 -2.01 0.00 0.00 31.29 33.64 1xyd h VAL 52 CO -0.63 0.68 -0.13 1.62 -1.01 0.00 0.00 177.57 178.10 1xyd h VAL 53 N 0.40 0.47 0.06 1.51 3.04 0.23 0.94 116.25 122.90 1xyd h VAL 53 Ca -0.10 -0.63 -0.25 0.00 -1.01 0.00 0.00 66.70 64.72 1xyd h VAL 53 Cb 1.58 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1xyd h VAL 53 CO 0.18 0.12 -1.07 0.44 -1.01 0.00 0.00 177.57 176.24 1xyd h ASP 54 N 0.00 0.47 0.14 3.17 3.32 0.29 -2.27 116.42 121.55 1xyd h ASP 54 Ca -0.00 -0.43 -0.23 0.00 0.02 0.00 0.00 57.03 56.39 1xyd h ASP 54 Cb 0.42 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1xyd h ASP 54 CO 0.02 1.27 -1.09 0.50 -1.72 0.00 0.00 179.24 178.21 1xyd h LYS 55 N 0.16 0.30 -0.78 3.56 3.11 0.08 -3.09 116.57 119.91 1xyd h LYS 55 Ca -0.10 -0.51 0.05 0.00 -2.81 0.00 0.00 60.65 57.28 1xyd h LYS 55 Cb 1.74 0.19 -0.05 0.00 -1.00 0.00 0.00 32.23 33.11 1xyd h LYS 55 CO 0.18 1.24 0.51 -0.24 -2.81 0.00 0.00 179.45 178.33 1xyd h VAL 56 N -0.31 1.07 0.00 2.00 3.04 0.76 0.35 116.25 123.16 1xyd h VAL 56 Ca -0.21 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1xyd h VAL 56 Cb 1.73 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1xyd h VAL 56 CO 0.13 0.16 -0.11 -0.03 -1.01 0.00 0.00 177.57 176.71 1xyd h MET 57 N 0.88 0.00 -0.00 4.17 1.85 -1.45 0.18 114.93 120.55 1xyd h MET 57 Ca 0.33 0.00 -0.17 0.00 -0.61 0.00 0.00 59.70 59.25 1xyd h MET 57 Cb 0.16 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 1xyd h MET 57 CO -0.11 0.11 -0.77 0.93 -0.40 0.00 0.00 176.91 176.67 1xyd h GLU 58 N 0.00 0.05 0.00 0.39 5.08 -0.23 0.17 114.58 120.05 1xyd h GLU 58 Ca -0.00 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 1xyd h GLU 58 Cb 0.26 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1xyd h GLU 58 CO 0.01 0.80 -1.55 1.15 -1.00 0.00 0.00 179.01 178.42 1xyd h THR 59 N 0.03 1.04 0.00 1.13 2.02 -0.90 -3.40 112.91 112.83 1xyd h THR 59 Ca -0.01 -2.86 -0.14 0.00 0.77 0.00 0.00 66.41 64.16 1xyd h THR 59 Cb 1.36 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 70.26 1xyd h THR 59 CO 0.10 0.60 -0.91 0.25 0.37 0.00 0.00 175.52 175.93 1xyd h LEU 60 N 0.00 0.00 -8.67 2.58 5.85 -0.68 -3.44 115.31 110.95 1xyd h LEU 60 Ca -0.22 -0.39 -0.56 0.00 0.84 0.00 0.00 57.88 57.55 1xyd h LEU 60 Cb 1.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1xyd h LEU 60 CO 0.09 1.22 1.55 -0.67 -0.34 0.00 0.00 178.44 180.29 1xyd n ASP 61 N -4.51 2.43 -0.04 1.25 -0.08 0.61 -4.75 116.55 111.46 1xyd n ASP 61 Ca -0.23 -0.01 -0.22 0.00 -1.51 0.00 0.00 54.79 52.83 1xyd n ASP 61 Cb 0.53 -1.45 -0.13 0.00 2.34 0.00 0.00 41.12 42.41 1xyd n ASP 61 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xyd n GLU 62 N 8.71 0.68 0.00 -0.67 4.07 -1.26 -3.74 120.64 128.43 1xyd n GLU 62 Ca 0.38 0.38 0.12 0.00 -0.06 0.00 0.00 57.16 57.98 1xyd n GLU 62 Cb 0.40 -1.72 0.63 0.00 -0.06 0.00 0.00 31.44 30.69 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1xyd n ASP 63 N -3.86 0.00 -3.18 4.31 5.75 -1.26 -4.87 116.55 113.45 1xyd n ASP 63 Ca -0.33 -0.15 -0.18 0.00 -0.01 0.00 0.00 54.79 54.12 1xyd n ASP 63 Cb 0.91 -0.25 0.08 0.00 -1.03 0.00 0.00 41.12 40.82 1xyd n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyd n GLY 64 N 0.74 -0.31 0.32 6.12 0.00 -1.25 -4.89 105.19 105.92 1xyd n GLY 64 Ca 0.12 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.69 1.56 0.00 1.61 5.68 -1.26 -4.92 116.55 116.52 1xyd n ASP 65 Ca -0.13 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 1xyd n ASP 65 Cb 0.61 0.53 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 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 1.43 0.43 3.26 6.12 0.00 -1.26 -4.97 105.19 110.20 1xyd n GLY 66 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.44 1.41 -0.44 1.61 2.02 -1.26 -4.70 118.70 116.90 1xyd s GLU 67 Ca 0.00 -1.78 0.03 0.00 0.02 0.00 0.00 54.97 53.25 1xyd s GLU 67 Cb 0.00 0.13 0.12 0.00 0.10 0.00 0.00 34.13 34.48 1xyd s GLU 67 CO 0.00 -0.44 0.19 0.00 0.02 0.00 0.00 175.26 175.03 1xyd n ASP 69 N 3.60 -2.67 0.12 0.00 9.92 -1.26 -3.30 116.55 122.95 1xyd n ASP 69 Ca 0.05 -0.37 -0.02 0.00 -0.53 0.00 0.00 54.79 53.92 1xyd n ASP 69 Cb 0.36 -0.55 0.09 0.00 -0.64 0.00 0.00 41.12 40.38 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1xyd h PHE 70 N -2.57 0.00 -0.13 1.24 -5.15 -1.98 -1.11 116.94 107.24 1xyd h PHE 70 Ca -0.16 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.58 1xyd h PHE 70 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.72 1xyd h PHE 70 CO 0.00 0.71 -0.00 0.37 -2.00 0.00 0.00 178.31 177.39 1xyd h GLN 71 N 0.00 0.24 0.01 6.09 4.15 -1.99 -2.61 115.11 121.01 1xyd h GLN 71 Ca -0.01 -0.08 -0.28 0.00 0.77 0.00 0.00 58.65 59.05 1xyd h GLN 71 Cb 1.28 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 1xyd h GLN 71 CO 0.09 0.47 -1.59 1.05 -1.93 0.00 0.00 178.83 176.93 1xyd h GLU 72 N -0.03 0.03 -0.46 1.69 4.11 -1.90 -3.25 114.58 114.78 1xyd h GLU 72 Ca 0.04 -0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.50 1xyd h GLU 72 Cb 0.37 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1xyd h GLU 72 CO 0.01 0.66 0.03 0.35 0.07 0.00 0.00 179.01 180.13 1xyd h PHE 73 N 0.01 0.02 -0.57 2.06 3.57 -1.24 0.72 116.94 121.52 1xyd h PHE 73 Ca -0.24 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.39 1xyd h PHE 73 Cb 1.97 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 40.70 1xyd h PHE 73 CO 0.01 -0.07 0.16 1.98 -2.23 0.00 0.00 178.31 178.16 1xyd h MET 74 N 0.14 0.30 0.00 1.11 4.05 -1.57 1.61 114.93 120.58 1xyd h MET 74 Ca 0.23 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1xyd h MET 74 Cb 0.33 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1xyd h MET 74 CO -0.36 0.20 0.35 0.00 0.23 0.00 0.00 176.91 177.33 1xyd h ALA 75 N 1.43 1.32 0.39 0.39 0.00 0.37 0.72 119.26 123.88 1xyd h ALA 75 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1xyd h ALA 75 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xyd h ALA 75 CO -0.34 -0.32 -0.19 0.35 0.00 0.00 0.00 179.25 178.76 1xyd h PHE 76 N 0.00 -0.48 -0.58 0.00 3.57 0.36 -1.48 116.94 118.33 1xyd h PHE 76 Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 1xyd h PHE 76 Cb 0.70 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1xyd h PHE 76 CO 0.00 -0.15 0.43 0.28 -2.23 0.00 0.00 178.31 176.64 1xyd h VAL 77 N -0.91 0.67 -0.19 1.41 2.07 -0.85 0.34 116.25 118.79 1xyd h VAL 77 Ca -0.05 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1xyd h VAL 77 Cb 0.55 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xyd h VAL 77 CO 0.09 0.00 -0.40 -1.28 0.02 0.00 0.00 177.57 175.99 1xyd h SER 78 N 0.00 0.45 0.92 0.57 0.87 -0.96 1.05 113.55 116.46 1xyd h SER 78 Ca 0.28 -0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 1xyd h SER 78 Cb 1.13 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1xyd h SER 78 CO -0.00 0.81 -0.83 0.24 -0.53 0.00 0.00 176.83 176.52 1xyd h MET 79 N 0.36 0.00 0.04 2.24 2.07 0.69 0.47 114.93 120.80 1xyd h MET 79 Ca 0.03 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.37 1xyd h MET 79 Cb 0.86 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.56 1xyd h MET 79 CO 0.07 0.83 -1.61 -0.39 1.07 0.00 0.00 176.91 176.88 1xyd h VAL 80 N 0.00 1.00 -0.05 -2.22 -1.51 -1.17 -3.03 116.25 109.29 1xyd h VAL 80 Ca -0.01 -2.78 -0.21 0.00 -1.23 0.00 0.00 66.70 62.48 1xyd h VAL 80 Cb 1.52 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 33.24 1xyd h VAL 80 CO 0.11 0.68 -0.84 0.74 -1.23 0.00 0.00 177.57 177.03 1xyd h THR 81 N 0.02 1.38 -0.43 7.19 2.02 0.12 -3.10 112.91 120.12 1xyd h THR 81 Ca -0.26 -2.28 -0.14 0.00 0.77 0.00 0.00 66.41 64.51 1xyd h THR 81 Cb 1.98 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 70.63 1xyd h THR 81 CO 0.10 0.68 -0.28 0.71 0.37 0.00 0.00 175.52 177.11 1xyd h THR 82 N 0.28 1.27 -0.99 3.16 1.35 -0.15 -2.76 112.91 115.08 1xyd h THR 82 Ca -0.06 -1.44 0.06 0.00 -0.55 0.00 0.00 66.41 64.42 1xyd h THR 82 Cb 1.45 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 69.04 1xyd h THR 82 CO 0.15 0.49 0.64 0.00 -0.25 0.00 0.00 175.52 176.55 1xyd h ALA 83 N 0.89 1.40 0.00 6.62 0.00 -1.53 2.31 119.26 128.96 1xyd h ALA 83 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xyd h ALA 83 Cb 0.85 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xyd h ALA 83 CO 0.07 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1xyd n HIS 85 N -2.62 0.00 0.01 0.00 -0.00 0.21 -3.87 115.22 108.94 1xyd n HIS 85 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 1xyd n HIS 85 Cb 0.16 -0.73 0.12 0.00 -0.00 0.00 0.00 29.99 29.54 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 0.51 -0.14 1.57 4.81 0.37 -2.05 114.58 119.66 1xyd h GLU 86 Ca -0.41 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.39 1xyd h GLU 86 Cb 1.77 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.16 1xyd h GLU 86 CO -0.03 0.84 -0.55 0.35 -0.73 0.00 0.00 179.01 178.89 1xyd h PHE 87 N 0.42 0.82 0.00 0.92 3.04 -1.36 -2.65 116.94 118.13 1xyd h PHE 87 Ca 0.04 -0.35 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1xyd h PHE 87 Cb 0.90 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.28 1xyd h PHE 87 CO 0.03 1.14 0.00 1.19 -2.02 0.00 0.00 178.31 178.65 1xyd n PHE 88 N -4.16 0.00 1.00 0.41 3.01 -1.17 -2.00 117.46 114.55 1xyd n PHE 88 Ca -0.07 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.49 1xyd n PHE 88 Cb 0.63 -0.40 -0.10 0.00 -0.01 0.00 0.00 39.48 39.60 1xyd n PHE 88 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1xyd n GLU 89 N -1.40 0.18 -1.68 -1.08 1.02 -0.78 -4.87 120.64 112.04 1xyd n GLU 89 Ca 0.05 -0.15 -0.38 0.00 -0.02 0.00 0.00 57.16 56.66 1xyd n GLU 89 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xyd s HIS 90 N -2.92 1.23 -2.00 -0.32 3.76 -0.85 -5.08 115.29 109.11 1xyd s HIS 90 Ca 0.10 1.27 0.11 0.00 -0.15 0.00 0.00 55.06 56.39 1xyd s HIS 90 Cb 0.16 -3.74 0.65 0.00 1.11 0.00 0.00 32.58 30.77 1xyd s HIS 90 CO 0.82 -2.66 1.09 -0.85 -0.85 0.00 0.00 174.74 172.29