#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 6.28 0.34 7.83 0.01 -1.26 -4.85 113.70 122.05 1xyd s SER 1 Ca 0.00 -0.99 0.04 0.00 1.31 0.00 0.00 55.95 56.31 1xyd s SER 1 Cb 0.00 -2.50 0.63 0.00 0.21 0.00 0.00 66.02 64.36 1xyd s SER 1 CO 0.00 -1.56 1.90 -0.33 0.41 0.00 0.00 173.24 173.66 1xyd h GLU 2 N 9.70 0.54 0.00 12.44 5.08 -2.07 -2.34 114.58 137.94 1xyd h GLU 2 Ca -0.15 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1xyd h GLU 2 Cb 1.05 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xyd h GLU 2 CO 1.25 0.54 -0.12 1.25 -1.00 0.00 0.00 179.01 180.93 1xyd h LEU 3 N 0.53 0.00 -0.40 1.33 7.12 -2.01 -2.95 115.31 118.93 1xyd h LEU 3 Ca 0.12 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.94 1xyd h LEU 3 Cb 0.27 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1xyd h LEU 3 CO 0.00 0.12 -0.72 -0.33 -0.13 0.00 0.00 178.44 177.38 1xyd h GLU 4 N 0.00 0.43 -0.24 1.25 5.08 -1.82 -1.67 114.58 117.60 1xyd h GLU 4 Ca -0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1xyd h GLU 4 Cb 0.54 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1xyd h GLU 4 CO 0.02 0.98 -0.06 0.87 -1.00 0.00 0.00 179.01 179.81 1xyd h LYS 5 N 0.29 0.47 -0.11 2.33 1.57 -1.57 -0.64 116.57 118.91 1xyd h LYS 5 Ca -0.03 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1xyd h LYS 5 Cb 1.29 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1xyd h LYS 5 CO 0.13 0.70 0.03 0.00 -0.57 0.00 0.00 179.45 179.73 1xyd h ALA 6 N 0.76 0.15 -0.60 3.86 0.00 -1.55 1.02 119.26 122.89 1xyd h ALA 6 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xyd h ALA 6 Cb 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xyd h ALA 6 CO 0.02 -0.22 0.40 1.98 0.00 0.00 0.00 179.25 181.43 1xyd h MET 7 N -0.02 0.77 0.20 0.00 1.85 -1.27 0.35 114.93 116.81 1xyd h MET 7 Ca 0.04 -0.05 -0.32 0.00 -0.61 0.00 0.00 59.70 58.76 1xyd h MET 7 Cb 0.24 -0.17 0.02 0.00 0.43 0.00 0.00 31.60 32.12 1xyd h MET 7 CO 0.00 0.51 -1.54 0.28 -0.40 0.00 0.00 176.91 175.77 1xyd h VAL 8 N 0.80 1.11 -0.20 -5.77 2.07 -0.83 -2.77 116.25 110.67 1xyd h VAL 8 Ca 0.23 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.14 1xyd h VAL 8 Cb -0.06 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1xyd h VAL 8 CO -0.05 0.81 -0.08 0.00 0.02 0.00 0.00 177.57 178.27 1xyd h ALA 9 N 0.10 1.51 0.06 1.67 0.00 0.14 -3.05 119.26 119.69 1xyd h ALA 9 Ca -0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1xyd h ALA 9 Cb 2.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.74 1xyd h ALA 9 CO 0.19 0.35 -0.44 -0.07 0.00 0.00 0.00 179.25 179.28 1xyd h LEU 10 N 0.29 0.29 -1.95 0.00 3.38 -0.40 -3.17 115.31 113.75 1xyd h LEU 10 Ca 0.06 -0.91 0.41 0.00 0.09 0.00 0.00 57.88 57.53 1xyd h LEU 10 Cb 0.33 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1xyd h LEU 10 CO 0.02 1.17 1.01 0.40 0.09 0.00 0.00 178.44 181.12 1xyd h ILE 11 N -0.55 0.29 0.03 1.22 1.08 -1.38 2.47 117.51 120.66 1xyd h ILE 11 Ca -0.07 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1xyd h ILE 11 Cb 1.29 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1xyd h ILE 11 CO 0.08 0.00 -0.01 0.44 -0.69 0.00 0.00 178.15 177.98 1xyd h ASP 12 N 0.02 -0.03 0.93 1.72 3.32 -1.55 -1.85 116.42 118.98 1xyd h ASP 12 Ca 0.68 -0.65 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1xyd h ASP 12 Cb 2.67 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 42.21 1xyd h ASP 12 CO -0.03 0.66 -0.49 0.58 -1.72 0.00 0.00 179.24 178.23 1xyd h VAL 13 N -0.74 1.05 -0.02 -1.35 2.07 -0.20 -1.45 116.25 115.61 1xyd h VAL 13 Ca -0.00 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1xyd h VAL 13 Cb 0.67 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1xyd h VAL 13 CO 0.01 0.48 -0.04 -0.26 0.02 0.00 0.00 177.57 177.77 1xyd h PHE 14 N 0.00 0.09 0.01 1.57 -1.00 0.39 -2.50 116.94 115.51 1xyd h PHE 14 Ca -0.00 -0.03 -0.19 0.00 2.81 0.00 0.00 57.97 60.55 1xyd h PHE 14 Cb 1.09 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 1xyd h PHE 14 CO 0.00 0.62 -0.88 1.25 -1.61 0.00 0.00 178.31 177.69 1xyd h HIS 15 N -0.46 0.23 -0.42 -0.55 2.76 -1.38 -1.21 115.15 114.12 1xyd h HIS 15 Ca 0.00 -0.13 -0.10 0.00 -2.20 0.00 0.00 60.37 57.94 1xyd h HIS 15 Cb 0.61 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1xyd h HIS 15 CO 0.12 0.95 -0.14 1.96 -1.30 0.00 0.00 177.93 179.52 1xyd h GLN 16 N 0.08 0.84 0.00 5.26 4.20 -1.32 -1.69 115.11 122.48 1xyd h GLN 16 Ca -0.04 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 1xyd h GLN 16 Cb 1.51 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 1xyd h GLN 16 CO 0.13 0.97 -0.40 1.88 -0.67 0.00 0.00 178.83 180.74 1xyd h TYR 17 N 0.66 0.00 -0.73 2.96 -1.99 -1.51 -1.98 116.97 114.39 1xyd h TYR 17 Ca 0.10 0.00 0.21 0.00 2.00 0.00 0.00 58.73 61.05 1xyd h TYR 17 Cb 0.68 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.38 1xyd h TYR 17 CO 0.05 0.25 0.68 0.77 -0.00 0.00 0.00 178.16 179.91 1xyd h SER 18 N -1.00 0.00 -0.25 3.88 0.02 -1.36 0.94 113.55 115.78 1xyd h SER 18 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1xyd h SER 18 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1xyd h SER 18 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 1xyd n GLY 19 N -1.61 1.41 0.29 -3.77 0.00 -0.64 -2.92 105.19 97.95 1xyd n GLY 19 Ca 0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 4.31 0.90 -2.24 1.61 2.43 0.17 -3.46 114.38 118.11 1xyd h ARG 20 Ca 0.00 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.31 1xyd h ARG 20 Cb 0.95 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.22 1xyd h ARG 20 CO 0.00 0.60 0.55 -1.83 -1.51 0.00 0.00 179.97 177.77 1xyd s GLU 21 N -6.11 1.10 4.98 0.20 -1.05 -1.26 -5.09 118.70 111.46 1xyd s GLU 21 Ca -0.13 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 1xyd s GLU 21 Cb 0.16 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1xyd s GLU 21 CO 0.78 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.89 1xyd n GLY 22 N -0.50 1.16 0.00 -3.83 0.00 -1.26 -4.87 105.19 95.89 1xyd n GLY 22 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 5.69 0.00 0.06 1.61 9.92 -1.26 -4.97 116.55 127.59 1xyd n ASP 23 Ca 0.00 -0.76 0.12 0.00 -0.53 0.00 0.00 54.79 53.62 1xyd n ASP 23 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1xyd n ASP 23 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1xyd n LYS 24 N -0.76 0.29 -2.72 -1.24 3.00 -1.26 -4.65 118.16 110.83 1xyd n LYS 24 Ca 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 58.31 58.32 1xyd n LYS 24 Cb 0.00 -1.68 0.07 0.00 0.00 0.00 0.00 35.03 33.42 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 -2.10 -2.27 -3.90 5.64 -0.00 -1.25 -4.29 115.22 107.05 1xyd n HIS 25 Ca 0.03 -1.48 -0.11 0.00 0.46 0.00 0.00 57.72 56.62 1xyd n HIS 25 Cb 0.44 1.43 -0.10 0.00 -0.12 0.00 0.00 29.99 31.64 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 0.39 0.44 -0.23 1.57 1.02 -1.15 -4.74 119.74 117.04 1xyd s LYS 26 Ca 0.27 -0.45 -0.14 0.00 0.02 0.00 0.00 55.97 55.66 1xyd s LYS 26 Cb 0.25 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.69 1xyd s LYS 26 CO -0.16 -0.10 0.34 -1.17 -0.92 0.00 0.00 175.35 173.34 1xyd s LEU 27 N -1.40 4.11 0.21 3.17 0.20 -1.20 -4.33 118.68 119.44 1xyd s LEU 27 Ca -0.15 0.37 0.08 0.00 0.69 0.00 0.00 54.13 55.12 1xyd s LEU 27 Cb -0.08 -2.41 -0.04 0.00 -0.43 0.00 0.00 46.19 43.23 1xyd s LEU 27 CO 0.01 -0.08 0.01 -1.59 -0.29 0.00 0.00 176.35 174.41 1xyd s LYS 28 N 1.48 2.40 0.26 1.98 -2.85 -1.26 -2.73 119.74 119.02 1xyd s LYS 28 Ca 0.16 -1.21 -0.03 0.00 -1.00 0.00 0.00 55.97 53.89 1xyd s LYS 28 Cb -0.15 -2.31 0.53 0.00 -2.06 0.00 0.00 37.83 33.85 1xyd s LYS 28 CO 0.08 0.42 1.67 0.87 0.10 0.00 0.00 175.35 178.49 1xyd h LYS 29 N 2.34 0.23 0.00 1.78 1.57 -1.98 1.56 116.57 122.06 1xyd h LYS 29 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xyd h LYS 29 Cb 1.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1xyd h LYS 29 CO 0.59 0.15 0.42 0.77 -0.57 0.00 0.00 179.45 180.81 1xyd h SER 30 N 0.24 0.00 0.00 0.86 0.02 -1.98 0.27 113.55 112.95 1xyd h SER 30 Ca 0.46 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 61.05 1xyd h SER 30 Cb 0.83 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 1xyd h SER 30 CO -0.57 0.00 -2.36 -0.62 -1.14 0.00 0.00 176.83 172.14 1xyd n GLU 31 N -2.50 0.63 0.00 3.45 1.02 0.51 -3.25 120.64 120.50 1xyd n GLU 31 Ca -0.01 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1xyd n GLU 31 Cb 0.45 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.04 -0.66 -4.62 6.46 0.12 2.56 115.31 119.21 1xyd h LEU 32 Ca -0.53 -0.27 -0.13 0.00 -0.12 0.00 0.00 57.88 56.83 1xyd h LEU 32 Cb 1.85 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.76 1xyd h LEU 32 CO -0.07 0.30 -0.32 0.50 -0.62 0.00 0.00 178.44 178.23 1xyd h LYS 33 N -0.22 0.70 0.01 1.25 3.11 -0.86 -1.17 116.57 119.38 1xyd h LYS 33 Ca 0.01 -0.32 -0.19 0.00 -2.81 0.00 0.00 60.65 57.33 1xyd h LYS 33 Cb 0.28 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1xyd h LYS 33 CO 0.00 0.92 -0.91 1.49 -2.81 0.00 0.00 179.45 178.14 1xyd h GLU 34 N 0.59 0.06 -0.27 1.90 4.57 -1.49 -2.59 114.58 117.36 1xyd h GLU 34 Ca 0.07 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1xyd h GLU 34 Cb 0.83 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1xyd h GLU 34 CO 0.07 0.92 -0.47 1.25 -1.18 0.00 0.00 179.01 179.61 1xyd h LEU 35 N 0.03 0.76 -0.48 1.64 5.85 0.46 -0.19 115.31 123.39 1xyd h LEU 35 Ca -0.02 -0.37 -0.15 0.00 0.84 0.00 0.00 57.88 58.18 1xyd h LEU 35 Cb 1.58 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1xyd h LEU 35 CO 0.13 1.11 -0.32 0.40 -0.34 0.00 0.00 178.44 179.42 1xyd h ILE 36 N 0.56 1.27 0.00 4.05 2.04 -1.20 -1.27 117.51 122.96 1xyd h ILE 36 Ca 0.03 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.35 1xyd h ILE 36 Cb 1.02 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1xyd h ILE 36 CO 0.10 0.50 -0.26 0.78 0.00 0.00 0.00 178.15 179.26 1xyd h ASN 37 N 0.77 0.00 0.46 1.72 -0.26 -1.36 -0.99 115.58 115.93 1xyd h ASN 37 Ca 0.08 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1xyd h ASN 37 Cb 0.89 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1xyd h ASN 37 CO 0.08 0.26 -1.54 0.59 -1.06 0.00 0.00 177.43 175.76 1xyd n ASN 38 N -3.19 0.40 0.03 5.81 5.03 -0.09 -4.40 115.26 118.85 1xyd n ASN 38 Ca 0.03 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1xyd n ASN 38 Cb 0.62 1.26 0.00 0.00 -1.02 0.00 0.00 39.78 40.64 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xyd n GLU 39 N -2.46 0.00 -0.42 3.52 -0.58 -0.49 -4.77 120.64 115.44 1xyd n GLU 39 Ca -0.02 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.64 1xyd n GLU 39 Cb 0.57 -0.25 0.05 0.00 -0.57 0.00 0.00 31.44 31.24 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xyd n LEU 40 N -2.99 4.38 0.18 -4.62 7.99 -1.07 -3.89 117.00 116.98 1xyd n LEU 40 Ca 0.00 -2.24 0.12 0.00 -0.01 0.00 0.00 56.01 53.88 1xyd n LEU 40 Cb 0.17 -0.67 0.13 0.00 -0.11 0.00 0.00 43.42 42.94 1xyd n LEU 40 CO 0.00 0.73 0.57 0.77 -1.51 0.00 0.00 177.39 177.95 1xyd h SER 41 N 0.44 0.00 1.29 -1.43 4.64 -1.28 1.15 113.55 118.35 1xyd h SER 41 Ca 0.19 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1xyd h SER 41 Cb 1.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 1xyd h SER 41 CO 0.35 0.00 -0.73 -0.74 -0.87 0.00 0.00 176.83 174.84 1xyd h HIS 42 N 0.00 0.00 0.00 4.77 -0.00 -1.87 -3.39 115.15 114.66 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 0.98 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.35 1xyd h HIS 42 CO 0.00 0.20 -2.00 1.19 -0.00 0.00 0.00 177.93 177.32 1xyd n PHE 43 N -2.92 0.00 -3.83 5.26 3.72 -1.20 -4.96 117.46 113.53 1xyd n PHE 43 Ca -0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 1xyd n PHE 43 Cb 0.63 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 38.45 1xyd n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xyd s LEU 44 N -6.93 4.11 0.50 4.37 1.02 0.40 -5.06 118.68 117.09 1xyd s LEU 44 Ca -0.25 0.21 -0.22 0.00 0.02 0.00 0.00 54.13 53.89 1xyd s LEU 44 Cb 0.09 -2.05 -0.07 0.00 0.02 0.00 0.00 46.19 44.18 1xyd s LEU 44 CO 0.32 0.20 1.15 1.21 0.02 0.00 0.00 176.35 179.25 1xyd n GLU 45 N 3.36 1.46 -1.71 1.70 2.13 -1.26 -3.81 120.64 122.50 1xyd n GLU 45 Ca -0.17 0.53 -0.41 0.00 0.66 0.00 0.00 57.16 57.78 1xyd n GLU 45 Cb 0.52 -2.29 -0.03 0.00 0.27 0.00 0.00 31.44 29.91 1xyd n GLU 45 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1xyd s GLU 46 N -2.47 2.91 0.05 5.31 8.01 -1.26 -4.89 118.70 126.36 1xyd s GLU 46 Ca 0.68 1.66 -0.31 0.00 0.01 0.00 0.00 54.97 57.01 1xyd s GLU 46 Cb -0.47 -4.38 -0.07 0.00 -4.31 0.00 0.00 34.13 24.89 1xyd s GLU 46 CO 0.53 -2.36 1.50 0.96 0.01 0.00 0.00 175.26 175.90 1xyd s ILE 47 N 8.93 3.33 -0.65 -1.63 -4.36 -1.26 -4.85 121.20 120.70 1xyd s ILE 47 Ca 0.93 0.80 0.21 0.00 -0.26 0.00 0.00 60.65 62.33 1xyd s ILE 47 Cb -0.26 -3.52 -0.26 0.00 1.25 0.00 0.00 42.46 39.68 1xyd s ILE 47 CO 0.32 0.01 0.74 0.29 0.24 0.00 0.00 174.94 176.54 1xyd n LYS 48 N 5.15 0.33 -4.16 0.37 5.02 -1.26 -4.85 118.16 118.76 1xyd n LYS 48 Ca 0.14 -0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 1xyd n LYS 48 Cb 0.42 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.78 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 -3.14 3.03 0.66 1.97 2.02 -1.26 -4.98 118.70 117.00 1xyd s GLU 49 Ca 0.02 -0.81 0.43 0.00 0.02 0.00 0.00 54.97 54.63 1xyd s GLU 49 Cb 0.15 -2.60 2.35 0.00 0.10 0.00 0.00 34.13 34.13 1xyd s GLU 49 CO 0.86 -0.19 2.32 -0.56 0.02 0.00 0.00 175.26 177.72 1xyd h GLN 50 N 7.89 0.00 -0.99 1.61 3.07 -1.99 -3.03 115.11 121.67 1xyd h GLN 50 Ca -0.44 0.00 0.35 0.00 0.09 0.00 0.00 58.65 58.65 1xyd h GLN 50 Cb 1.15 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.53 1xyd h GLN 50 CO 0.63 0.00 0.39 0.93 0.09 0.00 0.00 178.83 180.87 1xyd h GLU 51 N 0.00 0.07 -0.01 0.06 5.08 -1.98 1.66 114.58 119.47 1xyd h GLU 51 Ca 0.00 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1xyd h GLU 51 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xyd h GLU 51 CO 0.00 0.05 -0.92 -0.24 -1.00 0.00 0.00 179.01 176.90 1xyd h VAL 52 N 0.07 1.39 0.00 3.13 3.04 -1.96 -0.87 116.25 121.06 1xyd h VAL 52 Ca 0.74 -2.40 -0.03 0.00 -1.01 0.00 0.00 66.70 64.01 1xyd h VAL 52 Cb 1.80 2.38 -0.00 0.00 -2.01 0.00 0.00 31.29 33.46 1xyd h VAL 52 CO -0.77 0.72 -0.12 1.62 -1.01 0.00 0.00 177.57 178.01 1xyd h VAL 53 N 0.25 0.47 0.09 1.51 3.04 0.18 0.43 116.25 122.22 1xyd h VAL 53 Ca -0.08 -0.60 -0.26 0.00 -1.01 0.00 0.00 66.70 64.75 1xyd h VAL 53 Cb 1.55 1.41 0.01 0.00 -2.01 0.00 0.00 31.29 32.25 1xyd h VAL 53 CO 0.16 0.12 -1.16 -0.78 -1.01 0.00 0.00 177.57 174.90 1xyd h ASP 54 N 0.00 0.52 0.10 3.17 1.82 0.14 -1.98 116.42 120.19 1xyd h ASP 54 Ca -0.00 -0.50 -0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1xyd h ASP 54 Cb 0.41 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1xyd h ASP 54 CO 0.02 1.35 -0.05 0.50 -1.61 0.00 0.00 179.24 179.45 1xyd h LYS 55 N 0.15 -0.13 -0.95 0.28 3.11 0.22 -2.60 116.57 116.65 1xyd h LYS 55 Ca -0.13 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.85 1xyd h LYS 55 Cb 1.85 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 33.03 1xyd h LYS 55 CO 0.20 0.39 0.60 -0.24 -2.81 0.00 0.00 179.45 177.59 1xyd h VAL 56 N -0.86 0.87 0.00 2.00 3.04 -0.33 1.27 116.25 122.24 1xyd h VAL 56 Ca -0.01 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1xyd h VAL 56 Cb 0.57 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1xyd h VAL 56 CO 0.02 0.15 -0.02 -0.03 -1.01 0.00 0.00 177.57 176.68 1xyd h MET 57 N 0.84 0.00 -0.08 4.17 1.85 -1.33 0.11 114.93 120.49 1xyd h MET 57 Ca 0.48 0.00 -0.22 0.00 -0.61 0.00 0.00 59.70 59.35 1xyd h MET 57 Cb 0.61 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.65 1xyd h MET 57 CO -0.24 0.02 -0.84 1.49 -0.40 0.00 0.00 176.91 176.95 1xyd h GLU 58 N 0.00 0.59 0.01 0.39 4.22 0.20 0.57 114.58 120.56 1xyd h GLU 58 Ca -0.00 -0.53 -0.20 0.00 0.08 0.00 0.00 59.36 58.72 1xyd h GLU 58 Cb 0.07 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xyd h GLU 58 CO 0.00 1.15 -0.90 1.15 -2.18 0.00 0.00 179.01 178.24 1xyd h THR 59 N 0.38 1.55 0.05 0.32 2.02 -0.51 -3.35 112.91 113.38 1xyd h THR 59 Ca -0.06 -2.81 -0.30 0.00 0.77 0.00 0.00 66.41 64.01 1xyd h THR 59 Cb 1.45 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 70.39 1xyd h THR 59 CO 0.16 0.81 -1.64 0.18 0.37 0.00 0.00 175.52 175.40 1xyd n LEU 60 N -3.58 2.21 -4.54 2.58 7.99 0.20 -4.75 117.00 117.11 1xyd n LEU 60 Ca -0.02 0.32 -0.35 0.00 -0.01 0.00 0.00 56.01 55.95 1xyd n LEU 60 Cb 0.83 -1.03 -0.06 0.00 -0.11 0.00 0.00 43.42 43.06 1xyd n LEU 60 CO 0.47 0.54 2.00 -0.67 -1.51 0.00 0.00 177.39 178.22 1xyd n ASP 61 N -4.01 1.85 -0.00 -1.43 2.03 0.20 -4.69 116.55 110.49 1xyd n ASP 61 Ca -0.33 -0.48 -0.18 0.00 0.52 0.00 0.00 54.79 54.32 1xyd n ASP 61 Cb 0.85 -1.46 -0.14 0.00 -0.72 0.00 0.00 41.12 39.65 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 8.84 0.73 0.00 -0.67 -0.58 -1.26 -3.71 120.64 123.98 1xyd n GLU 62 Ca 0.43 0.27 0.15 0.00 -0.42 0.00 0.00 57.16 57.59 1xyd n GLU 62 Cb 0.44 -1.73 0.77 0.00 -0.57 0.00 0.00 31.44 30.35 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1xyd n ASP 63 N -3.37 0.06 -2.72 1.62 5.75 -1.26 -4.89 116.55 111.73 1xyd n ASP 63 Ca -0.28 -0.31 -0.14 0.00 -0.01 0.00 0.00 54.79 54.05 1xyd n ASP 63 Cb 1.05 -0.22 0.06 0.00 -1.03 0.00 0.00 41.12 40.98 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 1.25 -0.12 0.39 6.12 0.00 -1.24 -4.91 105.19 106.67 1xyd n GLY 64 Ca 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.17 1.79 0.00 1.61 5.68 -1.26 -4.92 116.55 117.28 1xyd n ASP 65 Ca -0.11 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1xyd n ASP 65 Cb 0.59 0.57 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 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 0.45 3.50 6.12 0.00 -1.26 -4.91 105.19 110.51 1xyd n GLY 66 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.57 1.79 -0.40 1.61 2.02 -1.26 -4.80 118.70 117.09 1xyd s GLU 67 Ca 0.00 -2.05 0.02 0.00 0.02 0.00 0.00 54.97 52.96 1xyd s GLU 67 Cb 0.00 -0.81 0.12 0.00 0.10 0.00 0.00 34.13 33.53 1xyd s GLU 67 CO 0.00 -0.31 0.17 0.00 0.02 0.00 0.00 175.26 175.14 1xyd n ASP 69 N 3.93 -1.42 0.07 0.00 5.75 -1.26 -3.25 116.55 120.37 1xyd n ASP 69 Ca 0.05 -0.08 -0.07 0.00 -0.01 0.00 0.00 54.79 54.68 1xyd n ASP 69 Cb 0.37 -0.13 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1xyd h PHE 70 N -1.76 0.05 -0.01 2.11 -0.00 -1.98 -0.61 116.94 114.73 1xyd h PHE 70 Ca -0.04 -0.03 -0.23 0.00 -0.00 0.00 0.00 57.97 57.67 1xyd h PHE 70 Cb 0.12 -0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.07 1xyd h PHE 70 CO 0.00 0.98 -0.94 0.37 -0.00 0.00 0.00 178.31 178.72 1xyd h GLN 71 N 0.01 0.47 0.14 6.09 4.15 -2.00 -2.95 115.11 121.02 1xyd h GLN 71 Ca -0.02 -0.49 -0.33 0.00 0.77 0.00 0.00 58.65 58.58 1xyd h GLN 71 Cb 1.70 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 29.52 1xyd h GLN 71 CO 0.13 1.14 -1.66 1.49 -1.93 0.00 0.00 178.83 177.99 1xyd h GLU 72 N 0.27 0.29 -0.57 1.69 4.81 -1.89 -3.25 114.58 115.93 1xyd h GLU 72 Ca -0.08 -0.50 0.10 0.00 -0.13 0.00 0.00 59.36 58.75 1xyd h GLU 72 Cb 1.57 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 31.06 1xyd h GLU 72 CO 0.17 1.16 0.14 0.35 -0.73 0.00 0.00 179.01 180.10 1xyd h PHE 73 N 0.08 0.23 -0.71 0.92 3.57 -1.17 0.51 116.94 120.37 1xyd h PHE 73 Ca -0.30 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.30 1xyd h PHE 73 Cb 2.05 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.71 1xyd h PHE 73 CO 0.07 0.01 0.39 1.98 -2.23 0.00 0.00 178.31 178.54 1xyd h MET 74 N 0.29 0.68 0.00 1.11 4.05 -1.62 0.71 114.93 120.15 1xyd h MET 74 Ca 0.29 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1xyd h MET 74 Cb 0.41 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1xyd h MET 74 CO -0.36 0.45 0.37 0.00 0.23 0.00 0.00 176.91 177.61 1xyd h ALA 75 N 1.38 1.37 0.17 0.39 0.00 -0.03 -0.92 119.26 121.62 1xyd h ALA 75 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1xyd h ALA 75 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xyd h ALA 75 CO -0.21 -0.37 -0.08 0.35 0.00 0.00 0.00 179.25 178.94 1xyd h PHE 76 N 0.00 -0.21 -0.43 0.00 3.57 0.11 -2.14 116.94 117.83 1xyd h PHE 76 Ca 0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1xyd h PHE 76 Cb 0.75 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1xyd h PHE 76 CO 0.00 0.19 0.35 0.28 -2.23 0.00 0.00 178.31 176.90 1xyd h VAL 77 N -0.91 0.64 -0.25 1.41 2.07 -1.18 0.72 116.25 118.75 1xyd h VAL 77 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1xyd h VAL 77 Cb 0.50 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xyd h VAL 77 CO 0.04 0.00 -0.24 -1.28 0.02 0.00 0.00 177.57 176.11 1xyd h SER 78 N 0.00 0.48 0.46 0.57 0.87 -1.22 1.30 113.55 116.00 1xyd h SER 78 Ca 0.21 -0.16 -0.21 0.00 -1.23 0.00 0.00 61.79 60.40 1xyd h SER 78 Cb 0.90 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1xyd h SER 78 CO -0.00 0.72 -0.89 -0.03 -0.53 0.00 0.00 176.83 176.09 1xyd h MET 79 N 0.43 0.30 0.04 2.24 -1.53 0.11 0.37 114.93 116.88 1xyd h MET 79 Ca 0.06 -0.32 -0.26 0.00 -3.44 0.00 0.00 59.70 55.74 1xyd h MET 79 Cb 0.65 0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.76 1xyd h MET 79 CO 0.05 1.02 -1.37 -0.39 0.14 0.00 0.00 176.91 176.36 1xyd h VAL 80 N 0.17 1.29 -0.09 -5.77 -1.51 -0.95 -2.57 116.25 106.83 1xyd h VAL 80 Ca -0.06 -3.02 -0.18 0.00 -1.23 0.00 0.00 66.70 62.21 1xyd h VAL 80 Cb 1.52 2.70 -0.00 0.00 -2.13 0.00 0.00 31.29 33.37 1xyd h VAL 80 CO 0.15 0.78 -0.71 0.74 -1.23 0.00 0.00 177.57 177.30 1xyd h THR 81 N 0.02 1.37 -0.03 7.19 2.02 0.17 -3.02 112.91 120.63 1xyd h THR 81 Ca -0.16 -2.10 -0.22 0.00 0.77 0.00 0.00 66.41 64.69 1xyd h THR 81 Cb 1.92 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 1xyd h THR 81 CO 0.12 0.63 -0.89 0.71 0.37 0.00 0.00 175.52 176.47 1xyd h THR 82 N 0.29 1.37 -0.36 3.16 1.35 -0.29 -2.84 112.91 115.59 1xyd h THR 82 Ca -0.03 -2.32 -0.01 0.00 -0.55 0.00 0.00 66.41 63.51 1xyd h THR 82 Cb 1.28 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.99 1xyd h THR 82 CO 0.12 0.70 0.18 0.00 -0.25 0.00 0.00 175.52 176.28 1xyd h ALA 83 N 0.73 0.47 0.00 6.62 0.00 -1.47 1.01 119.26 126.62 1xyd h ALA 83 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xyd h ALA 83 Cb 1.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xyd h ALA 83 CO 0.16 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1xyd n HIS 85 N -1.58 0.18 0.01 0.00 -0.00 0.53 -3.78 115.22 110.59 1xyd n HIS 85 Ca 0.02 0.04 -0.13 0.00 -0.00 0.00 0.00 57.72 57.66 1xyd n HIS 85 Cb 0.11 -1.03 -0.09 0.00 -0.00 0.00 0.00 29.99 28.99 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 0.01 -0.04 -0.74 1.57 4.57 0.14 -1.82 114.58 118.26 1xyd h GLU 86 Ca -0.55 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.71 1xyd h GLU 86 Cb 1.98 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 30.51 1xyd h GLU 86 CO -0.04 0.34 0.42 0.35 -1.18 0.00 0.00 179.01 178.90 1xyd h PHE 87 N -0.42 0.77 0.00 0.92 3.57 -1.59 0.17 116.94 120.36 1xyd h PHE 87 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1xyd h PHE 87 Cb 0.39 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1xyd h PHE 87 CO 0.05 0.35 -0.08 0.35 -2.23 0.00 0.00 178.31 176.76 1xyd h PHE 88 N 0.75 0.00 -0.01 0.41 3.57 -1.62 -0.14 116.94 119.90 1xyd h PHE 88 Ca 0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1xyd h PHE 88 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xyd h PHE 88 CO -0.07 0.08 -0.11 0.39 -2.23 0.00 0.00 178.31 176.36 1xyd n GLU 89 N -4.26 1.19 -1.85 1.11 1.02 0.46 -4.80 120.64 113.51 1xyd n GLU 89 Ca -0.03 -0.65 -0.38 0.00 -0.02 0.00 0.00 57.16 56.08 1xyd n GLU 89 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1xyd s HIS 90 N -2.25 1.45 -2.23 -0.32 2.46 -0.07 -5.07 115.29 109.26 1xyd s HIS 90 Ca 0.32 1.03 0.30 0.00 0.47 0.00 0.00 55.06 57.18 1xyd s HIS 90 Cb 0.20 -3.91 1.51 0.00 -0.13 0.00 0.00 32.58 30.25 1xyd s HIS 90 CO 0.43 -2.53 2.01 -0.85 -2.47 0.00 0.00 174.74 171.32