#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 1.80 -0.18 3.17 3.41 -1.26 -4.86 113.62 115.70 1xyd n SER 1 Ca 0.00 -1.96 0.29 0.00 -0.26 0.00 0.00 58.87 56.93 1xyd n SER 1 Cb 0.00 -0.05 0.73 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.00 0.00 0.00 4.33 5.08 -2.06 0.68 114.58 122.61 1xyd h GLU 2 Ca -0.18 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 1xyd h GLU 2 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1xyd h GLU 2 CO 0.27 0.00 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.57 1xyd h LEU 3 N 0.00 0.00 -0.56 1.33 -0.00 -2.00 -2.89 115.31 111.19 1xyd h LEU 3 Ca 0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.15 1xyd h LEU 3 Cb 1.73 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.37 1xyd h LEU 3 CO -0.00 0.64 -0.72 -0.08 -0.00 0.00 0.00 178.44 178.28 1xyd h GLU 4 N 0.00 0.06 -0.09 1.13 4.22 0.01 -2.63 114.58 117.29 1xyd h GLU 4 Ca -0.01 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.33 1xyd h GLU 4 Cb 1.39 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1xyd h GLU 4 CO 0.08 0.75 -0.15 0.87 -2.18 0.00 0.00 179.01 178.38 1xyd h LYS 5 N 0.04 0.26 0.30 1.92 1.57 -1.37 -2.39 116.57 116.89 1xyd h LYS 5 Ca -0.01 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1xyd h LYS 5 Cb 1.27 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xyd h LYS 5 CO 0.10 0.74 -0.19 0.00 -0.57 0.00 0.00 179.45 179.53 1xyd h ALA 6 N 0.52 -0.46 -0.94 3.86 0.00 -1.51 0.41 119.26 121.14 1xyd h ALA 6 Ca 0.01 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1xyd h ALA 6 Cb 0.72 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1xyd h ALA 6 CO 0.03 -0.77 0.60 0.52 0.00 0.00 0.00 179.25 179.63 1xyd h MET 7 N -0.47 0.90 0.19 0.00 2.86 -1.54 -0.25 114.93 116.62 1xyd h MET 7 Ca -0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1xyd h MET 7 Cb 0.39 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1xyd h MET 7 CO 0.03 0.60 -0.09 0.28 1.06 0.00 0.00 176.91 178.78 1xyd h VAL 8 N 0.93 0.91 -0.99 -2.22 2.07 -0.85 -0.84 116.25 115.25 1xyd h VAL 8 Ca 0.45 -0.81 0.22 0.00 0.82 0.00 0.00 66.70 67.37 1xyd h VAL 8 Cb 0.44 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 1xyd h VAL 8 CO -0.21 0.18 0.62 0.00 0.02 0.00 0.00 177.57 178.18 1xyd h ALA 9 N 0.01 1.97 0.10 1.67 0.00 0.49 -2.14 119.26 121.36 1xyd h ALA 9 Ca -0.03 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1xyd h ALA 9 Cb 0.48 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xyd h ALA 9 CO 0.04 -0.34 -0.66 -0.07 0.00 0.00 0.00 179.25 178.22 1xyd h LEU 10 N 0.56 0.41 -1.45 0.00 4.07 -0.95 -3.19 115.31 114.75 1xyd h LEU 10 Ca 0.56 -0.93 0.39 0.00 0.08 0.00 0.00 57.88 57.98 1xyd h LEU 10 Cb 1.16 -0.13 -0.11 0.00 1.08 0.00 0.00 40.66 42.66 1xyd h LEU 10 CO -0.31 1.30 0.82 0.40 -1.08 0.00 0.00 178.44 179.57 1xyd h ILE 11 N -0.43 0.25 0.01 1.22 1.08 -0.46 3.07 117.51 122.26 1xyd h ILE 11 Ca -0.11 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1xyd h ILE 11 Cb 1.50 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1xyd h ILE 11 CO 0.13 0.03 -0.01 0.44 -0.69 0.00 0.00 178.15 178.05 1xyd h ASP 12 N 0.16 -0.01 0.98 1.72 3.32 -1.60 -2.92 116.42 118.07 1xyd h ASP 12 Ca 0.74 -0.78 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1xyd h ASP 12 Cb 2.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.83 1xyd h ASP 12 CO -0.34 0.80 -0.39 0.58 -1.72 0.00 0.00 179.24 178.16 1xyd h VAL 13 N -0.86 0.85 -0.24 -1.35 2.07 -0.94 -2.37 116.25 113.41 1xyd h VAL 13 Ca -0.00 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 1xyd h VAL 13 Cb 0.79 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1xyd h VAL 13 CO 0.00 0.38 -0.02 0.15 0.02 0.00 0.00 177.57 178.11 1xyd h PHE 14 N 0.00 0.49 0.12 1.57 3.57 0.54 -3.08 116.94 120.15 1xyd h PHE 14 Ca -0.00 -0.09 -0.30 0.00 3.53 0.00 0.00 57.97 61.11 1xyd h PHE 14 Cb 0.99 -0.12 0.03 0.00 2.79 0.00 0.00 35.95 39.64 1xyd h PHE 14 CO 0.00 0.63 -1.23 1.25 -2.23 0.00 0.00 178.31 176.73 1xyd h HIS 15 N 0.20 1.00 -0.81 0.41 2.76 -1.51 -1.51 115.15 115.69 1xyd h HIS 15 Ca 0.07 -0.63 0.18 0.00 -2.20 0.00 0.00 60.37 57.78 1xyd h HIS 15 Cb 0.45 -0.08 -0.11 0.00 1.55 0.00 0.00 27.41 29.22 1xyd h HIS 15 CO 0.04 1.47 0.28 1.96 -1.30 0.00 0.00 177.93 180.39 1xyd h GLN 16 N 0.25 0.34 0.00 5.26 7.50 -1.46 0.98 115.11 127.98 1xyd h GLN 16 Ca -0.19 -0.02 -0.05 0.00 0.50 0.00 0.00 58.65 58.89 1xyd h GLN 16 Cb 1.91 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 29.35 1xyd h GLN 16 CO 0.24 0.22 -0.70 0.66 -1.50 0.00 0.00 178.83 177.75 1xyd n TYR 17 N -5.09 0.94 -0.22 2.96 4.02 -1.17 -2.01 117.16 116.59 1xyd n TYR 17 Ca 0.17 0.41 0.31 0.00 -0.01 0.00 0.00 57.90 58.78 1xyd n TYR 17 Cb 0.53 -0.85 0.72 0.00 -0.02 0.00 0.00 39.34 39.73 1xyd n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xyd h SER 18 N -1.00 0.00 -0.22 7.72 0.87 -1.22 0.79 113.55 120.48 1xyd h SER 18 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1xyd h SER 18 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1xyd h SER 18 CO -0.05 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 1xyd n GLY 19 N -1.71 1.28 0.30 5.77 0.00 0.34 -3.75 105.19 107.41 1xyd n GLY 19 Ca 0.21 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1xyd n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xyd h ARG 20 N 4.11 0.76 -2.70 1.61 0.11 0.12 -3.47 114.38 114.94 1xyd h ARG 20 Ca 0.00 -0.15 0.09 0.00 0.10 0.00 0.00 59.98 60.02 1xyd h ARG 20 Cb 0.91 -0.12 -0.09 0.00 1.11 0.00 0.00 29.97 31.78 1xyd h ARG 20 CO 0.00 0.69 0.34 -1.83 0.10 0.00 0.00 179.97 179.27 1xyd s GLU 21 N -5.21 1.35 5.21 0.08 -1.05 -1.26 -5.09 118.70 112.74 1xyd s GLU 21 Ca -0.09 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1xyd s GLU 21 Cb 0.16 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.36 1xyd s GLU 21 CO 0.79 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 176.80 1xyd n GLY 22 N -0.41 1.09 0.00 -3.83 0.00 -1.26 -4.61 105.19 96.17 1xyd n GLY 22 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 4.31 0.00 0.00 1.61 8.00 -1.26 -5.00 116.55 124.21 1xyd n ASP 23 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xyd n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.00 0.00 -1.67 -1.24 3.00 -1.25 -4.95 118.16 112.04 1xyd n LYS 24 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1xyd n LYS 24 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 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 0.57 -3.91 5.64 -0.00 -1.25 -3.72 115.22 112.55 1xyd n HIS 25 Ca 0.00 -1.26 -0.10 0.00 0.46 0.00 0.00 57.72 56.82 1xyd n HIS 25 Cb 0.00 -0.21 -0.10 0.00 -0.12 0.00 0.00 29.99 29.56 1xyd n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1xyd s LYS 26 N -1.91 0.46 -0.05 1.57 1.02 -1.25 -4.41 119.74 115.16 1xyd s LYS 26 Ca 0.35 -0.53 -0.13 0.00 0.02 0.00 0.00 55.97 55.68 1xyd s LYS 26 Cb 0.37 0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.81 1xyd s LYS 26 CO -0.10 -0.10 0.34 -0.51 -0.92 0.00 0.00 175.35 174.06 1xyd s LEU 27 N -1.56 4.42 0.20 3.17 1.02 -1.20 -4.43 118.68 120.30 1xyd s LEU 27 Ca -0.13 0.79 0.07 0.00 0.02 0.00 0.00 54.13 54.87 1xyd s LEU 27 Cb -0.07 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 1xyd s LEU 27 CO -0.00 0.30 0.09 -0.54 0.02 0.00 0.00 176.35 176.22 1xyd s LYS 28 N -0.77 2.69 0.24 1.70 1.02 -1.26 -3.22 119.74 120.14 1xyd s LYS 28 Ca 0.21 -1.05 -0.07 0.00 0.02 0.00 0.00 55.97 55.08 1xyd s LYS 28 Cb -0.15 -2.48 0.44 0.00 -0.52 0.00 0.00 37.83 35.12 1xyd s LYS 28 CO 0.10 0.44 1.64 0.87 -0.92 0.00 0.00 175.35 177.48 1xyd h LYS 29 N 2.19 0.12 0.00 1.68 1.57 -1.99 1.97 116.57 122.11 1xyd h LYS 29 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xyd h LYS 29 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1xyd h LYS 29 CO 0.61 0.08 0.23 0.43 -0.57 0.00 0.00 179.45 180.22 1xyd n SER 30 N -5.32 0.09 -0.12 0.86 7.64 -1.26 0.22 113.62 115.72 1xyd n SER 30 Ca 0.14 0.36 -0.15 0.00 1.01 0.00 0.00 58.87 60.23 1xyd n SER 30 Cb 0.47 -0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.49 0.67 0.37 1.43 1.02 0.66 -3.23 120.64 120.08 1xyd n GLU 31 Ca -0.00 0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 1xyd n GLU 31 Cb 0.23 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.00 -0.82 -1.56 -4.62 -0.00 0.32 2.48 115.31 111.11 1xyd h LEU 32 Ca -0.57 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.37 1xyd h LEU 32 Cb 2.04 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 42.89 1xyd h LEU 32 CO -0.04 -0.48 0.33 0.50 -0.00 0.00 0.00 178.44 178.75 1xyd h LYS 33 N -1.19 0.56 0.20 1.13 3.64 -1.58 0.66 116.57 120.00 1xyd h LYS 33 Ca -0.10 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 58.92 1xyd h LYS 33 Cb 0.74 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1xyd h LYS 33 CO 0.16 0.37 -1.56 1.49 -2.27 0.00 0.00 179.45 177.64 1xyd h GLU 34 N 0.58 0.42 -0.04 1.90 4.81 -1.49 -2.06 114.58 118.70 1xyd h GLU 34 Ca 0.20 -0.71 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 1xyd h GLU 34 Cb 0.07 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xyd h GLU 34 CO -0.05 1.33 -0.65 1.25 -0.73 0.00 0.00 179.01 180.15 1xyd h LEU 35 N 0.11 0.20 -0.19 1.64 5.85 0.46 0.28 115.31 123.67 1xyd h LEU 35 Ca -0.27 -0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.13 1xyd h LEU 35 Cb 2.10 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 43.08 1xyd h LEU 35 CO 0.22 0.80 -0.61 0.40 -0.34 0.00 0.00 178.44 178.91 1xyd h ILE 36 N 0.12 1.30 0.00 4.05 2.04 0.25 0.10 117.51 125.38 1xyd h ILE 36 Ca -0.01 -1.82 -0.11 0.00 1.00 0.00 0.00 64.86 63.92 1xyd h ILE 36 Cb 1.17 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 1xyd h ILE 36 CO 0.10 0.58 -0.73 0.78 0.00 0.00 0.00 178.15 178.88 1xyd h ASN 37 N 0.48 0.00 0.03 1.72 2.35 -1.28 -1.85 115.58 117.02 1xyd h ASN 37 Ca -0.02 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.35 1xyd h ASN 37 Cb 1.23 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.55 1xyd h ASN 37 CO 0.13 0.47 -2.22 0.59 -1.65 0.00 0.00 177.43 174.75 1xyd n ASN 38 N -3.11 2.00 -0.03 5.81 4.13 0.98 -4.38 115.26 120.65 1xyd n ASN 38 Ca -0.01 0.13 -0.03 0.00 1.68 0.00 0.00 54.58 56.36 1xyd n ASN 38 Cb 0.74 -0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 38.28 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 -3.70 0.16 -0.38 3.52 4.07 0.22 -4.45 120.64 120.08 1xyd n GLU 39 Ca -0.43 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.76 1xyd n GLU 39 Cb 0.94 -0.82 0.00 0.00 -0.06 0.00 0.00 31.44 31.50 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 -3.11 4.29 0.10 4.31 4.77 -0.40 -3.89 117.00 123.07 1xyd n LEU 40 Ca -0.04 -1.94 0.12 0.00 -0.03 0.00 0.00 56.01 54.12 1xyd n LEU 40 Cb 0.16 -0.90 0.13 0.00 -2.33 0.00 0.00 43.42 40.48 1xyd n LEU 40 CO 0.06 0.81 0.34 0.28 -1.33 0.00 0.00 177.39 177.55 1xyd h SER 41 N 1.44 0.00 0.01 -1.43 0.02 -1.52 -2.58 113.55 109.49 1xyd h SER 41 Ca 0.00 -0.11 -0.29 0.00 -0.84 0.00 0.00 61.79 60.55 1xyd h SER 41 Cb 0.83 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 1xyd h SER 41 CO 0.00 0.05 -2.30 0.00 -1.14 0.00 0.00 176.83 173.45 1xyd n HIS 42 N -2.41 0.02 -0.07 3.45 -0.00 -1.25 -4.39 115.22 110.57 1xyd n HIS 42 Ca 0.02 0.01 -0.06 0.00 -0.00 0.00 0.00 57.72 57.69 1xyd n HIS 42 Cb 0.48 -0.90 -0.02 0.00 -0.00 0.00 0.00 29.99 29.55 1xyd n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1xyd n PHE 43 N -2.65 0.09 -2.57 -1.40 3.01 -1.26 -4.92 117.46 107.76 1xyd n PHE 43 Ca -0.27 0.04 -0.41 0.00 1.01 0.00 0.00 57.45 57.83 1xyd n PHE 43 Cb 1.04 -0.42 -0.04 0.00 -0.01 0.00 0.00 39.48 40.04 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 -7.24 4.54 0.22 4.37 2.96 -0.97 -4.94 118.68 117.62 1xyd s LEU 44 Ca -0.21 2.08 -0.31 0.00 -0.22 0.00 0.00 54.13 55.47 1xyd s LEU 44 Cb 0.03 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.96 1xyd s LEU 44 CO 0.31 -0.11 1.11 -0.62 -1.32 0.00 0.00 176.35 175.72 1xyd n GLU 45 N 1.95 1.29 -1.56 1.98 1.02 -1.26 -4.28 120.64 119.77 1xyd n GLU 45 Ca 0.01 0.46 -0.38 0.00 -0.02 0.00 0.00 57.16 57.22 1xyd n GLU 45 Cb 0.46 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.37 1.31 -2.42 3.49 2.13 -1.26 -4.90 120.64 120.35 1xyd n GLU 46 Ca 0.13 0.16 -0.42 0.00 0.66 0.00 0.00 57.16 57.69 1xyd n GLU 46 Cb 0.28 -3.36 -0.03 0.00 0.27 0.00 0.00 31.44 28.60 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 11.01 4.08 -0.03 6.31 1.01 -1.26 -4.89 121.20 137.43 1xyd s ILE 47 Ca 0.99 1.48 0.06 0.00 0.00 0.00 0.00 60.65 63.18 1xyd s ILE 47 Cb -0.24 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 1xyd s ILE 47 CO 0.29 0.08 0.07 1.17 0.00 0.00 0.00 174.94 176.56 1xyd n LYS 48 N 4.30 1.72 -3.71 2.79 4.81 -1.26 -4.72 118.16 122.09 1xyd n LYS 48 Ca 0.10 -0.03 -0.24 0.00 -0.87 0.00 0.00 58.31 57.26 1xyd n LYS 48 Cb 0.46 -1.15 -0.02 0.00 0.02 0.00 0.00 35.03 34.34 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xyd s GLU 49 N -2.28 3.48 -0.11 1.64 0.41 -1.26 -5.02 118.70 115.56 1xyd s GLU 49 Ca -0.03 -0.49 0.16 0.00 -0.41 0.00 0.00 54.97 54.20 1xyd s GLU 49 Cb 0.03 -2.81 -0.24 0.00 -1.78 0.00 0.00 34.13 29.33 1xyd s GLU 49 CO 0.25 0.35 0.38 1.04 -0.49 0.00 0.00 175.26 176.79 1xyd n GLN 50 N -1.21 0.66 0.03 1.61 6.02 -1.26 -4.16 117.38 119.07 1xyd n GLN 50 Ca -0.06 0.14 0.22 0.00 -0.01 0.00 0.00 57.00 57.28 1xyd n GLN 50 Cb 0.55 -1.66 0.73 0.00 1.02 0.00 0.00 30.24 30.89 1xyd n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1xyd h GLU 51 N 0.00 0.00 0.02 -1.09 5.08 -1.98 0.67 114.58 117.27 1xyd h GLU 51 Ca -0.40 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.70 1xyd h GLU 51 Cb 2.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.35 1xyd h GLU 51 CO 0.05 0.00 -1.05 -0.39 -1.00 0.00 0.00 179.01 176.62 1xyd h VAL 52 N 0.00 1.31 0.00 3.13 -1.51 -1.99 -0.77 116.25 116.42 1xyd h VAL 52 Ca 0.24 -2.33 -0.02 0.00 -1.23 0.00 0.00 66.70 63.36 1xyd h VAL 52 Cb 1.22 2.44 -0.00 0.00 -2.13 0.00 0.00 31.29 32.82 1xyd h VAL 52 CO -0.00 0.71 -0.10 1.62 -1.23 0.00 0.00 177.57 178.57 1xyd h VAL 53 N 0.34 0.44 0.04 7.19 3.04 -0.01 0.54 116.25 127.84 1xyd h VAL 53 Ca -0.13 -0.53 -0.24 0.00 -1.01 0.00 0.00 66.70 64.79 1xyd h VAL 53 Cb 1.70 1.36 0.01 0.00 -2.01 0.00 0.00 31.29 32.35 1xyd h VAL 53 CO 0.20 0.10 -1.04 0.44 -1.01 0.00 0.00 177.57 176.26 1xyd h ASP 54 N 0.00 0.54 0.27 3.17 3.32 -0.19 -2.59 116.42 120.94 1xyd h ASP 54 Ca -0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1xyd h ASP 54 Cb 0.36 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xyd h ASP 54 CO 0.01 1.29 -0.13 0.50 -1.72 0.00 0.00 179.24 179.20 1xyd h LYS 55 N 0.20 -0.35 -0.88 3.56 3.64 0.43 -2.64 116.57 120.52 1xyd h LYS 55 Ca -0.10 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.54 1xyd h LYS 55 Cb 1.70 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 33.46 1xyd h LYS 55 CO 0.18 -0.08 0.23 -0.24 -2.27 0.00 0.00 179.45 177.27 1xyd h VAL 56 N -1.02 0.30 -0.86 2.00 3.04 -0.11 2.13 116.25 121.74 1xyd h VAL 56 Ca -0.04 -0.07 0.02 0.00 -1.01 0.00 0.00 66.70 65.61 1xyd h VAL 56 Cb 0.43 0.09 -0.05 0.00 -2.01 0.00 0.00 31.29 29.75 1xyd h VAL 56 CO 0.06 0.04 0.57 -0.03 -1.01 0.00 0.00 177.57 177.19 1xyd h MET 57 N 0.20 1.09 0.00 4.17 4.05 -1.49 0.56 114.93 123.50 1xyd h MET 57 Ca 0.56 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.87 1xyd h MET 57 Cb 1.13 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 1xyd h MET 57 CO -0.67 0.72 -0.21 1.49 0.23 0.00 0.00 176.91 178.47 1xyd h GLU 58 N 1.12 0.00 0.00 0.39 4.57 0.38 2.60 114.58 123.64 1xyd h GLU 58 Ca 0.33 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.29 1xyd h GLU 58 Cb -0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1xyd h GLU 58 CO -0.09 0.21 -1.46 1.15 -1.18 0.00 0.00 179.01 177.65 1xyd h THR 59 N 0.00 0.74 0.00 0.32 2.02 0.81 -3.40 112.91 113.40 1xyd h THR 59 Ca -0.00 -2.39 -0.29 0.00 0.77 0.00 0.00 66.41 64.50 1xyd h THR 59 Cb 0.38 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 1xyd h THR 59 CO 0.03 0.42 -2.08 -0.11 0.37 0.00 0.00 175.52 174.14 1xyd n LEU 60 N -3.00 2.44 -4.55 2.58 7.94 0.17 -4.88 117.00 117.71 1xyd n LEU 60 Ca -0.11 -0.08 -0.37 0.00 -1.11 0.00 0.00 56.01 54.33 1xyd n LEU 60 Cb 0.93 -0.48 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 1xyd n LEU 60 CO 0.44 0.74 2.02 -0.67 -1.11 0.00 0.00 177.39 178.81 1xyd n ASP 61 N -2.97 2.26 -0.03 1.96 2.03 0.87 -4.70 116.55 115.97 1xyd n ASP 61 Ca -0.32 -0.38 -0.10 0.00 0.52 0.00 0.00 54.79 54.51 1xyd n ASP 61 Cb 0.89 -1.53 -0.14 0.00 -0.72 0.00 0.00 41.12 39.61 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 8.93 0.65 0.00 -0.67 1.02 -1.26 -3.58 120.64 125.73 1xyd n GLU 62 Ca 0.39 0.26 0.14 0.00 -0.02 0.00 0.00 57.16 57.93 1xyd n GLU 62 Cb 0.49 -1.76 0.65 0.00 -0.02 0.00 0.00 31.44 30.81 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xyd n ASP 63 N -3.06 0.33 -3.61 1.62 8.00 -1.26 -4.90 116.55 113.68 1xyd n ASP 63 Ca -0.20 -0.44 -0.23 0.00 0.71 0.00 0.00 54.79 54.62 1xyd n ASP 63 Cb 1.06 -0.13 0.07 0.00 -0.02 0.00 0.00 41.12 42.11 1xyd n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xyd n GLY 64 N 1.28 -0.48 0.33 0.44 0.00 -1.23 -4.87 105.19 100.66 1xyd n GLY 64 Ca 0.14 0.20 0.09 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 -3.02 1.58 0.00 1.61 5.75 -1.26 -4.93 116.55 116.28 1xyd n ASP 65 Ca -0.08 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1xyd n ASP 65 Cb 0.59 0.57 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 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 1.27 0.56 3.39 6.12 0.00 -1.26 -4.93 105.19 110.33 1xyd n GLY 66 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.45 1.47 -0.35 1.61 2.02 -1.26 -4.61 118.70 117.12 1xyd s GLU 67 Ca 0.00 -1.74 0.01 0.00 0.02 0.00 0.00 54.97 53.26 1xyd s GLU 67 Cb 0.00 -0.98 0.11 0.00 0.10 0.00 0.00 34.13 33.36 1xyd s GLU 67 CO 0.00 -0.00 0.12 0.00 0.02 0.00 0.00 175.26 175.40 1xyd n ASP 69 N 4.34 -0.50 -0.02 0.00 8.00 -1.26 -3.22 116.55 123.89 1xyd n ASP 69 Ca 0.02 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 1xyd n ASP 69 Cb 0.40 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.09 0.54 0.00 1.24 -5.15 -1.98 0.28 116.94 110.78 1xyd h PHE 70 Ca 0.00 -0.26 -0.03 0.00 -0.20 0.00 0.00 57.97 57.49 1xyd h PHE 70 Cb 0.00 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 36.09 1xyd h PHE 70 CO 0.00 1.03 -0.13 -0.56 -2.00 0.00 0.00 178.31 176.65 1xyd h GLN 71 N -0.11 0.00 0.09 6.09 -0.00 -1.97 -1.23 115.11 117.98 1xyd h GLN 71 Ca -0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.24 1xyd h GLN 71 Cb 1.11 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.56 1xyd h GLN 71 CO 0.09 0.13 -2.07 -1.91 -0.00 0.00 0.00 178.83 175.07 1xyd n GLU 72 N -4.33 0.72 -0.28 0.06 2.13 -1.22 -3.45 120.64 114.28 1xyd n GLU 72 Ca -0.03 0.26 0.02 0.00 0.66 0.00 0.00 57.16 58.07 1xyd n GLU 72 Cb 0.20 -1.67 0.16 0.00 0.27 0.00 0.00 31.44 30.40 1xyd n GLU 72 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1xyd h PHE 73 N -0.03 0.81 -0.43 4.31 3.57 -0.27 0.32 116.94 125.23 1xyd h PHE 73 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xyd h PHE 73 Cb 1.96 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.43 1xyd h PHE 73 CO 0.07 0.33 0.28 1.98 -2.23 0.00 0.00 178.31 178.74 1xyd h MET 74 N 0.76 0.56 0.00 1.11 4.05 -1.38 0.27 114.93 120.30 1xyd h MET 74 Ca 0.38 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1xyd h MET 74 Cb 0.35 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1xyd h MET 74 CO -0.24 0.38 0.35 0.00 0.23 0.00 0.00 176.91 177.62 1xyd h ALA 75 N 1.15 1.30 0.16 0.39 0.00 -0.42 -0.76 119.26 121.08 1xyd h ALA 75 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xyd h ALA 75 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xyd h ALA 75 CO -0.03 -0.30 -0.08 0.35 0.00 0.00 0.00 179.25 179.19 1xyd h PHE 76 N 0.00 -0.20 -0.68 0.00 3.04 0.46 -2.57 116.94 116.99 1xyd h PHE 76 Ca 0.00 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.08 1xyd h PHE 76 Cb 0.69 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 1xyd h PHE 76 CO 0.00 0.13 0.46 0.28 -2.02 0.00 0.00 178.31 177.16 1xyd h VAL 77 N -0.98 0.83 -0.54 1.41 2.07 -1.14 0.21 116.25 118.11 1xyd h VAL 77 Ca -0.02 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1xyd h VAL 77 Cb 0.42 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1xyd h VAL 77 CO 0.04 0.07 0.19 -1.28 0.02 0.00 0.00 177.57 176.61 1xyd h SER 78 N 0.38 0.72 0.91 0.57 0.87 -1.31 1.52 113.55 117.20 1xyd h SER 78 Ca 0.33 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1xyd h SER 78 Cb 0.75 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1xyd h SER 78 CO -0.09 0.67 -0.36 -0.03 -0.53 0.00 0.00 176.83 176.48 1xyd h MET 79 N 0.78 0.00 0.15 2.24 -1.53 -0.18 0.58 114.93 116.98 1xyd h MET 79 Ca 0.18 0.00 -0.33 0.00 -3.44 0.00 0.00 59.70 56.11 1xyd h MET 79 Cb 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.24 1xyd h MET 79 CO -0.01 0.36 -1.67 0.28 0.14 0.00 0.00 176.91 176.01 1xyd h VAL 80 N 0.00 1.01 -0.42 -5.77 2.07 -0.52 -2.95 116.25 109.67 1xyd h VAL 80 Ca -0.00 -2.62 -0.12 0.00 0.82 0.00 0.00 66.70 64.77 1xyd h VAL 80 Cb 0.92 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1xyd h VAL 80 CO 0.05 0.83 -0.22 0.74 0.02 0.00 0.00 177.57 178.99 1xyd h THR 81 N 0.09 1.27 -0.62 2.57 2.02 0.23 -2.88 112.91 115.59 1xyd h THR 81 Ca -0.31 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 65.44 1xyd h THR 81 Cb 2.07 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.63 1xyd h THR 81 CO 0.17 0.45 0.04 0.71 0.37 0.00 0.00 175.52 177.26 1xyd h THR 82 N 0.73 1.27 -0.49 3.16 1.35 0.10 -2.18 112.91 116.85 1xyd h THR 82 Ca 0.10 -1.12 0.02 0.00 -0.55 0.00 0.00 66.41 64.87 1xyd h THR 82 Cb 0.75 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.89 1xyd h THR 82 CO 0.06 0.41 0.29 0.00 -0.25 0.00 0.00 175.52 176.03 1xyd h ALA 83 N 1.01 0.62 0.00 6.62 0.00 -1.38 2.15 119.26 128.28 1xyd h ALA 83 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xyd h ALA 83 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xyd h ALA 83 CO 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1xyd n HIS 85 N -1.51 0.00 -0.10 0.00 -0.00 0.19 -4.16 115.22 109.64 1xyd n HIS 85 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.63 1xyd n HIS 85 Cb 0.11 -0.92 0.01 0.00 -0.00 0.00 0.00 29.99 29.19 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 -0.24 0.86 0.69 1.57 4.57 0.35 -0.84 114.58 121.54 1xyd h GLU 86 Ca -0.56 -0.44 -0.03 0.00 -1.18 0.00 0.00 59.36 57.15 1xyd h GLU 86 Cb 1.76 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.35 1xyd h GLU 86 CO -0.16 1.08 -0.42 0.35 -1.18 0.00 0.00 179.01 178.68 1xyd h PHE 87 N 0.71 -1.11 -0.06 0.92 3.04 -1.17 1.28 116.94 120.55 1xyd h PHE 87 Ca 0.06 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1xyd h PHE 87 Cb 0.95 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.84 1xyd h PHE 87 CO 0.06 -0.63 -0.14 0.35 -2.02 0.00 0.00 178.31 175.93 1xyd h PHE 88 N -1.04 0.10 -0.33 0.41 3.57 -1.72 -0.70 116.94 117.23 1xyd h PHE 88 Ca -0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xyd h PHE 88 Cb 0.84 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1xyd h PHE 88 CO -0.10 0.23 0.00 -1.91 -2.23 0.00 0.00 178.31 174.31 1xyd n GLU 89 N -4.33 1.93 -1.95 1.11 2.13 -0.32 -4.83 120.64 114.38 1xyd n GLU 89 Ca -0.02 -1.43 -0.39 0.00 0.66 0.00 0.00 57.16 55.99 1xyd n GLU 89 Cb 0.24 -1.36 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 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 -1.56 1.58 -2.00 4.31 2.46 0.43 -4.96 115.29 115.55 1xyd s HIS 90 Ca 0.30 0.90 0.11 0.00 0.47 0.00 0.00 55.06 56.84 1xyd s HIS 90 Cb 0.16 -4.01 0.64 0.00 -0.13 0.00 0.00 32.58 29.25 1xyd s HIS 90 CO 0.23 -2.45 1.08 0.39 -2.47 0.00 0.00 174.74 171.51