#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8r n ASP 15 N 0.00 -1.13 -4.19 1.61 2.03 -1.22 -4.97 116.55 108.67 1y8r n ASP 15 Ca 0.00 -0.79 -0.29 0.00 0.52 0.00 0.00 54.79 54.23 1y8r n ASP 15 Cb 0.00 0.57 0.24 0.00 -0.72 0.00 0.00 41.12 41.22 1y8r n ASP 15 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1y8r s LYS 16 N 0.84 -1.19 0.00 -0.67 -2.85 -1.26 -3.46 119.74 111.15 1y8r s LYS 16 Ca 0.23 0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.64 1y8r s LYS 16 Cb 0.16 -1.56 0.00 0.00 -2.06 0.00 0.00 37.83 34.37 1y8r s LYS 16 CO -0.11 -3.80 0.00 1.17 0.10 0.00 0.00 175.35 172.71 1y8r n LYS 17 N -4.91 0.00 0.00 1.78 3.00 -0.46 -4.77 118.16 112.80 1y8r n LYS 17 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1y8r n LYS 17 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1y8r n LYS 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1y8r n GLU 18 N -1.84 0.00 0.00 1.64 -0.58 -1.26 -5.07 120.64 113.54 1y8r n GLU 18 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1y8r n GLU 18 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1y8r n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y8r n GLY 19 N 4.54 -1.04 3.64 0.62 0.00 -1.26 -4.84 105.19 106.85 1y8r n GLY 19 Ca 0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1y8r n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y8r s GLU 20 N 0.00 0.69 0.00 1.61 0.41 -1.26 -4.21 118.70 115.93 1y8r s GLU 20 Ca 0.00 1.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.66 1y8r s GLU 20 Cb 0.00 0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.54 1y8r s GLU 20 CO 0.00 -0.13 0.00 0.66 -0.49 0.00 0.00 175.26 175.30 1y8r n TYR 21 N 3.86 -0.10 -3.94 1.61 0.53 -1.25 -4.71 117.16 113.17 1y8r n TYR 21 Ca -0.18 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.60 1y8r n TYR 21 Cb 0.58 0.02 -0.11 0.00 -1.03 0.00 0.00 39.34 38.80 1y8r n TYR 21 CO 0.00 0.00 0.00 0.96 -1.02 0.00 0.00 176.86 176.80 1y8r s ILE 22 N -1.12 0.10 -0.35 -0.72 -4.36 -1.25 -4.99 121.20 108.52 1y8r s ILE 22 Ca 0.00 -0.82 -0.07 0.00 -0.26 0.00 0.00 60.65 59.50 1y8r s ILE 22 Cb 0.00 -0.34 0.04 0.00 1.25 0.00 0.00 42.46 43.41 1y8r s ILE 22 CO 0.00 -0.45 0.12 -0.75 0.24 0.00 0.00 174.94 174.10 1y8r s LYS 23 N -1.45 2.62 0.36 0.37 2.20 -1.26 -2.75 119.74 119.84 1y8r s LYS 23 Ca -0.15 -1.20 -0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1y8r s LYS 23 Cb -0.09 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1y8r s LYS 23 CO 0.00 -0.69 0.58 -0.51 -0.36 0.00 0.00 175.35 174.37 1y8r s LEU 24 N 1.41 3.97 -0.25 5.43 1.43 0.95 -1.35 118.68 130.26 1y8r s LEU 24 Ca -0.01 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1y8r s LEU 24 Cb -0.20 -3.38 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1y8r s LEU 24 CO 0.03 -0.33 0.05 -1.59 0.23 0.00 0.00 176.35 174.74 1y8r s LYS 25 N -4.37 0.80 -0.42 1.70 -2.85 -0.57 0.88 119.74 114.91 1y8r s LYS 25 Ca 0.41 -0.76 -0.25 0.00 -1.00 0.00 0.00 55.97 54.37 1y8r s LYS 25 Cb -0.10 -2.11 0.02 0.00 -2.06 0.00 0.00 37.83 33.58 1y8r s LYS 25 CO 0.37 -0.78 0.90 0.08 0.10 0.00 0.00 175.35 176.02 1y8r s VAL 26 N 1.70 4.55 -0.13 1.79 1.01 -1.18 -1.57 120.40 126.58 1y8r s VAL 26 Ca 0.03 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1y8r s VAL 26 Cb -0.17 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1y8r s VAL 26 CO -0.15 -0.68 0.03 -0.63 0.00 0.00 0.00 175.10 173.66 1y8r s ILE 27 N 3.56 4.50 0.23 2.22 1.01 -0.10 -2.46 121.20 130.15 1y8r s ILE 27 Ca 0.36 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1y8r s ILE 27 Cb -0.11 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.45 1y8r s ILE 27 CO 0.22 0.54 0.32 0.61 0.00 0.00 0.00 174.94 176.63 1y8r n GLY 28 N 2.79 1.17 0.24 6.18 0.00 -0.70 -1.40 105.19 113.47 1y8r n GLY 28 Ca -0.18 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 43.92 1y8r n GLY 28 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1y8r h GLN 29 N 0.00 0.00 -0.73 1.61 4.20 -1.90 -2.95 115.11 115.34 1y8r h GLN 29 Ca -0.11 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 1y8r h GLN 29 Cb 0.42 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 1y8r h GLN 29 CO 0.13 0.10 0.13 -0.40 -0.67 0.00 0.00 178.83 178.12 1y8r n ASP 30 N -3.20 4.65 0.00 1.46 5.68 -1.26 -4.91 116.55 118.98 1y8r n ASP 30 Ca 0.01 -2.91 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 1y8r n ASP 30 Cb 0.42 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1y8r n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1y8r n SER 31 N 0.19 -2.98 -4.76 -1.12 7.64 -1.11 -4.98 113.62 106.50 1y8r n SER 31 Ca 0.30 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.83 1y8r n SER 31 Cb 1.15 -2.26 0.04 0.00 -1.01 0.00 0.00 64.21 62.12 1y8r n SER 31 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y8r s SER 32 N -2.12 5.14 0.02 6.43 0.15 -1.26 -4.77 113.70 117.29 1y8r s SER 32 Ca 0.00 2.23 0.02 0.00 0.70 0.00 0.00 55.95 58.90 1y8r s SER 32 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1y8r s SER 32 CO 0.00 -1.62 -0.08 -1.61 1.20 0.00 0.00 173.24 171.13 1y8r s GLU 33 N -3.61 0.58 -0.34 5.44 2.02 -1.26 -1.72 118.70 119.80 1y8r s GLU 33 Ca 0.73 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.24 1y8r s GLU 33 Cb -0.26 -0.49 0.15 0.00 0.10 0.00 0.00 34.13 33.63 1y8r s GLU 33 CO 0.36 0.12 0.33 0.42 0.02 0.00 0.00 175.26 176.51 1y8r s ILE 34 N -0.68 -0.30 0.39 -1.63 1.01 -1.03 -5.01 121.20 113.94 1y8r s ILE 34 Ca -0.02 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 1y8r s ILE 34 Cb -0.06 -0.82 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 1y8r s ILE 34 CO 0.00 -0.60 1.36 -1.00 0.00 0.00 0.00 174.94 174.71 1y8r s HIS 35 N 1.68 2.77 0.17 3.97 3.76 -1.26 -3.10 115.29 123.28 1y8r s HIS 35 Ca 0.15 1.33 0.06 0.00 -0.15 0.00 0.00 55.06 56.45 1y8r s HIS 35 Cb -0.16 -3.79 -0.04 0.00 1.11 0.00 0.00 32.58 29.70 1y8r s HIS 35 CO -0.12 -2.36 -0.13 -0.06 -0.85 0.00 0.00 174.74 171.22 1y8r s PHE 36 N -1.19 1.51 -0.33 1.40 0.08 0.25 -3.43 117.98 116.27 1y8r s PHE 36 Ca 0.54 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 1y8r s PHE 36 Cb -0.41 -0.74 0.11 0.00 -0.57 0.00 0.00 43.02 41.41 1y8r s PHE 36 CO 0.54 0.22 0.12 0.15 -0.10 0.00 0.00 175.22 176.16 1y8r s LYS 37 N -3.45 0.75 0.19 0.44 1.02 -1.22 -0.04 119.74 117.43 1y8r s LYS 37 Ca 0.18 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 55.06 1y8r s LYS 37 Cb -0.01 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1y8r s LYS 37 CO 0.04 -1.02 0.10 0.08 -0.92 0.00 0.00 175.35 173.63 1y8r s VAL 38 N 1.47 4.19 -0.06 3.17 1.01 -1.11 -1.35 120.40 127.72 1y8r s VAL 38 Ca 0.11 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1y8r s VAL 38 Cb -0.18 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1y8r s VAL 38 CO -0.22 -0.18 1.48 -0.75 0.00 0.00 0.00 175.10 175.42 1y8r s LYS 39 N -3.27 4.23 0.38 2.72 2.20 -1.26 -3.74 119.74 121.00 1y8r s LYS 39 Ca 0.30 1.99 0.30 0.00 -0.36 0.00 0.00 55.97 58.21 1y8r s LYS 39 Cb -0.09 -3.78 1.26 0.00 -1.51 0.00 0.00 37.83 33.70 1y8r s LYS 39 CO 0.22 -0.72 1.25 -0.12 -0.36 0.00 0.00 175.35 175.62 1y8r n MET 40 N 6.38 -0.02 -3.76 4.03 0.00 -1.26 -2.46 117.12 120.03 1y8r n MET 40 Ca 0.15 0.97 -0.28 0.00 -0.00 0.00 0.00 57.70 58.53 1y8r n MET 40 Cb 0.43 -1.99 -0.12 0.00 0.00 0.00 0.00 33.22 31.54 1y8r n MET 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1y8r s THR 41 N -4.79 2.07 -0.02 1.12 2.01 -1.26 -1.92 115.64 112.85 1y8r s THR 41 Ca -0.05 -3.59 -0.13 0.00 0.31 0.00 0.00 61.69 58.23 1y8r s THR 41 Cb 0.24 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1y8r s THR 41 CO 0.68 -1.03 0.27 0.42 -0.69 0.00 0.00 174.62 174.27 1y8r s THR 42 N -0.77 0.06 -0.20 -0.82 -4.23 -1.03 -5.05 115.64 103.60 1y8r s THR 42 Ca 0.25 -0.47 -0.29 0.00 -1.18 0.00 0.00 61.69 60.00 1y8r s THR 42 Cb -0.07 -0.55 -0.06 0.00 1.34 0.00 0.00 72.50 73.15 1y8r s THR 42 CO -0.14 -0.26 2.19 1.41 -0.54 0.00 0.00 174.62 177.28 1y8r n HIS 43 N 1.48 1.99 0.14 3.99 8.25 -1.26 -4.28 115.22 125.54 1y8r n HIS 43 Ca -0.21 -0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.22 1y8r n HIS 43 Cb 0.56 -2.72 0.44 0.00 1.12 0.00 0.00 29.99 29.39 1y8r n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y8r n LEU 44 N 10.98 0.42 0.23 2.41 4.77 0.21 -0.89 117.00 135.13 1y8r n LEU 44 Ca 0.30 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 57.07 1y8r n LEU 44 Cb 0.42 -0.68 0.76 0.00 -2.33 0.00 0.00 43.42 41.59 1y8r n LEU 44 CO 0.67 -0.80 0.96 0.50 -1.33 0.00 0.00 177.39 177.39 1y8r h LYS 45 N 0.00 0.00 0.00 3.23 3.64 -1.74 0.16 116.57 121.86 1y8r h LYS 45 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1y8r h LYS 45 Cb 0.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1y8r h LYS 45 CO 0.00 0.00 -0.69 0.87 -2.27 0.00 0.00 179.45 177.36 1y8r h LYS 46 N 0.00 0.00 0.09 1.90 1.79 -1.32 -2.44 116.57 116.60 1y8r h LYS 46 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1y8r h LYS 46 Cb 0.17 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1y8r h LYS 46 CO 0.00 0.61 -0.76 1.25 -1.08 0.00 0.00 179.45 179.47 1y8r h LEU 47 N 0.00 0.51 -0.74 2.94 6.46 -0.90 -0.09 115.31 123.49 1y8r h LEU 47 Ca -0.02 -0.88 0.10 0.00 -0.12 0.00 0.00 57.88 56.97 1y8r h LEU 47 Cb 1.50 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 41.19 1y8r h LEU 47 CO 0.08 1.34 0.37 0.11 -0.62 0.00 0.00 178.44 179.73 1y8r h LYS 48 N -0.24 0.60 -0.21 1.25 1.57 -1.49 1.02 116.57 119.07 1y8r h LYS 48 Ca -0.12 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1y8r h LYS 48 Cb 1.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1y8r h LYS 48 CO 0.15 0.39 0.00 0.93 -0.57 0.00 0.00 179.45 180.35 1y8r h GLU 49 N 0.61 0.37 -0.89 3.15 5.08 -1.39 -1.53 114.58 119.98 1y8r h GLU 49 Ca 0.37 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 1y8r h GLU 49 Cb 0.42 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1y8r h GLU 49 CO -0.29 0.56 0.59 1.03 -1.00 0.00 0.00 179.01 179.90 1y8r h SER 50 N 0.13 0.97 0.39 1.42 0.87 0.39 -1.17 113.55 116.56 1y8r h SER 50 Ca 0.06 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1y8r h SER 50 Cb 0.39 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1y8r h SER 50 CO 0.01 0.67 -0.19 0.22 -0.53 0.00 0.00 176.83 177.01 1y8r h TYR 51 N 1.13 -0.49 -0.27 2.24 3.20 0.13 -1.87 116.97 121.04 1y8r h TYR 51 Ca 0.35 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.29 1y8r h TYR 51 Cb -0.00 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1y8r h TYR 51 CO -0.00 -0.31 0.22 0.00 -1.64 0.00 0.00 178.16 176.44 1y8r h GLN 53 N 0.00 0.21 0.25 0.00 5.75 -1.18 0.28 115.11 120.43 1y8r h GLN 53 Ca 0.13 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1y8r h GLN 53 Cb 0.57 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1y8r h GLN 53 CO -0.00 0.52 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.49 1y8r h ARG 54 N -0.10 -0.33 0.00 1.69 9.65 -0.23 -3.17 114.38 121.88 1y8r h ARG 54 Ca 0.03 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1y8r h ARG 54 Cb 0.44 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1y8r h ARG 54 CO 0.01 0.01 0.00 0.37 2.80 0.00 0.00 179.97 183.16 1y8r h GLN 55 N -0.94 0.00 -4.86 0.20 5.75 0.08 -3.47 115.11 111.87 1y8r h GLN 55 Ca -0.03 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 1y8r h GLN 55 Cb 0.49 0.00 0.09 0.00 1.07 0.00 0.00 27.48 29.13 1y8r h GLN 55 CO 0.06 0.00 -0.40 0.41 -2.65 0.00 0.00 178.83 176.25 1y8r n GLY 56 N -0.76 -0.82 3.19 2.39 0.00 0.86 -5.02 105.19 105.03 1y8r n GLY 56 Ca -0.01 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1y8r n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y8r s VAL 57 N -3.18 0.01 -0.27 1.61 1.01 -0.52 -5.04 120.40 114.02 1y8r s VAL 57 Ca 0.21 -0.09 -0.39 0.00 0.00 0.00 0.00 61.98 61.71 1y8r s VAL 57 Cb -0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 36.38 35.75 1y8r s VAL 57 CO 0.57 -0.05 1.81 -2.65 0.00 0.00 0.00 175.10 174.78 1y8r n PRO 58 N 2.63 1.27 -0.27 2.72 -0.02 -1.26 -4.65 135.00 135.41 1y8r n PRO 58 Ca -0.14 0.46 -0.09 0.00 -2.02 0.00 0.00 63.50 61.70 1y8r n PRO 58 Cb 0.58 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 1y8r n PRO 58 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1y8r h MET 59 N 7.92 -0.07 0.00 -0.52 1.85 -1.95 -0.63 114.93 121.53 1y8r h MET 59 Ca -0.45 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 1y8r h MET 59 Cb 1.31 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.36 1y8r h MET 59 CO 0.97 -0.05 0.01 0.09 -0.40 0.00 0.00 176.91 177.53 1y8r n ASN 60 N -4.74 0.00 -0.53 1.39 3.02 -1.26 -0.91 115.26 112.22 1y8r n ASN 60 Ca 0.01 0.14 0.11 0.00 -0.03 0.00 0.00 54.58 54.81 1y8r n ASN 60 Cb 0.22 -0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1y8r n ASN 60 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1y8r n SER 61 N -1.13 2.08 -4.67 6.41 3.41 -0.25 -4.93 113.62 114.54 1y8r n SER 61 Ca 0.00 -1.54 -0.31 0.00 -0.26 0.00 0.00 58.87 56.77 1y8r n SER 61 Cb 0.01 0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1y8r n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y8r s LEU 62 N -2.44 3.44 -0.26 1.04 1.43 -0.09 -1.63 118.68 120.17 1y8r s LEU 62 Ca 0.20 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1y8r s LEU 62 Cb 0.18 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.38 1y8r s LEU 62 CO 0.55 0.21 0.08 -0.60 0.23 0.00 0.00 176.35 176.82 1y8r s ARG 63 N -2.06 0.56 0.21 1.70 3.52 -0.32 -4.99 118.95 117.57 1y8r s ARG 63 Ca 0.23 -0.71 -0.26 0.00 -0.13 0.00 0.00 55.73 54.86 1y8r s ARG 63 Cb -0.12 -1.84 -0.09 0.00 -1.56 0.00 0.00 34.95 31.35 1y8r s ARG 63 CO 0.15 -0.87 0.84 -0.06 -0.81 0.00 0.00 175.30 174.55 1y8r s PHE 64 N 1.82 3.88 0.05 5.12 0.40 -1.26 -2.00 117.98 125.98 1y8r s PHE 64 Ca 0.06 1.71 0.04 0.00 -0.60 0.00 0.00 56.93 58.14 1y8r s PHE 64 Cb -0.17 -2.83 -0.02 0.00 0.51 0.00 0.00 43.02 40.50 1y8r s PHE 64 CO -0.22 0.44 -0.11 -0.51 0.70 0.00 0.00 175.22 175.52 1y8r s LEU 65 N -1.36 2.23 -0.24 -0.37 1.02 0.12 -2.17 118.68 117.91 1y8r s LEU 65 Ca 0.40 -0.53 -0.03 0.00 0.02 0.00 0.00 54.13 53.99 1y8r s LEU 65 Cb -0.23 -0.39 0.08 0.00 0.02 0.00 0.00 46.19 45.67 1y8r s LEU 65 CO 0.27 -0.09 0.08 0.12 0.02 0.00 0.00 176.35 176.74 1y8r s PHE 66 N -1.16 0.93 -1.45 0.29 5.36 0.11 -0.55 117.98 121.50 1y8r s PHE 66 Ca -0.04 -0.99 -0.08 0.00 -0.96 0.00 0.00 56.93 54.86 1y8r s PHE 66 Cb -0.09 -1.11 0.02 0.00 -0.34 0.00 0.00 43.02 41.50 1y8r s PHE 66 CO 0.01 -0.70 0.92 0.39 -1.46 0.00 0.00 175.22 174.38 1y8r n GLU 67 N 5.07 -6.31 0.00 10.12 1.02 -1.26 -2.31 120.64 126.97 1y8r n GLU 67 Ca -0.07 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1y8r n GLU 67 Cb 0.45 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.12 1y8r n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y8r n GLY 68 N -1.75 3.03 3.80 0.62 0.00 -1.26 -5.04 105.19 104.58 1y8r n GLY 68 Ca -0.03 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1y8r n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y8r s GLN 69 N 0.00 4.43 0.21 1.61 0.74 -0.98 -5.03 119.66 120.64 1y8r s GLN 69 Ca 0.00 1.08 -0.30 0.00 0.05 0.00 0.00 55.36 56.19 1y8r s GLN 69 Cb 0.00 -2.95 -0.08 0.00 1.10 0.00 0.00 33.01 31.08 1y8r s GLN 69 CO 0.00 0.41 1.01 0.50 -0.55 0.00 0.00 175.29 176.65 1y8r s ARG 70 N -1.79 4.73 -0.50 1.67 3.52 -1.26 0.04 118.95 125.35 1y8r s ARG 70 Ca 0.43 1.59 -0.27 0.00 -0.13 0.00 0.00 55.73 57.36 1y8r s ARG 70 Cb -0.19 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1y8r s ARG 70 CO 0.23 0.30 1.03 0.42 -0.81 0.00 0.00 175.30 176.47 1y8r s ILE 71 N -0.72 4.32 0.32 4.11 1.01 -0.92 -4.89 121.20 124.43 1y8r s ILE 71 Ca 0.45 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.65 1y8r s ILE 71 Cb -0.27 -4.54 -0.09 0.00 0.01 0.00 0.00 42.46 37.56 1y8r s ILE 71 CO 0.34 -1.00 1.11 0.00 0.00 0.00 0.00 174.94 175.38 1y8r s ALA 72 N 4.16 3.32 0.52 9.38 0.00 -1.26 -4.83 121.76 133.05 1y8r s ALA 72 Ca 0.40 0.88 0.35 0.00 0.00 0.00 0.00 51.96 53.60 1y8r s ALA 72 Cb -0.09 -3.33 1.50 0.00 0.00 0.00 0.00 23.12 21.20 1y8r s ALA 72 CO 0.27 -0.24 1.76 -0.44 0.00 0.00 0.00 175.76 177.11 1y8r h ASP 73 N 3.39 0.08 0.11 0.00 5.19 -1.95 0.65 116.42 123.89 1y8r h ASP 73 Ca -0.47 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1y8r h ASP 73 Cb 1.22 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1y8r h ASP 73 CO 0.65 0.00 -0.22 -3.20 -3.12 0.00 0.00 179.24 173.35 1y8r n ASN 74 N -4.25 1.49 -4.75 6.45 2.85 -1.26 -2.58 115.26 113.22 1y8r n ASN 74 Ca 0.28 -1.24 -0.31 0.00 -0.11 0.00 0.00 54.58 53.20 1y8r n ASN 74 Cb 1.29 0.16 0.10 0.00 1.24 0.00 0.00 39.78 42.58 1y8r n ASN 74 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1y8r s HIS 75 N -2.35 2.36 -0.01 1.20 3.76 0.23 -4.75 115.29 115.72 1y8r s HIS 75 Ca 0.26 1.61 -0.09 0.00 -0.15 0.00 0.00 55.06 56.69 1y8r s HIS 75 Cb 0.19 -3.13 0.01 0.00 1.11 0.00 0.00 32.58 30.76 1y8r s HIS 75 CO 0.47 -2.03 0.19 -0.08 -0.85 0.00 0.00 174.74 172.44 1y8r s THR 76 N -2.77 0.07 0.30 1.30 -1.32 -1.26 -0.62 115.64 111.34 1y8r s THR 76 Ca 0.63 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 1y8r s THR 76 Cb -0.19 -0.45 0.40 0.00 -1.51 0.00 0.00 72.50 70.75 1y8r s THR 76 CO 0.55 -0.30 1.58 -0.65 -2.21 0.00 0.00 174.62 173.59 1y8r h PRO 77 N 4.40 0.02 -0.17 7.08 0.11 -1.77 -0.63 132.00 141.05 1y8r h PRO 77 Ca -0.30 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1y8r h PRO 77 Cb 1.19 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1y8r h PRO 77 CO 0.40 0.01 0.08 -0.22 -0.21 0.00 0.00 178.00 178.06 1y8r h LYS 78 N 0.02 0.25 0.00 1.05 3.64 -1.66 0.69 116.57 120.57 1y8r h LYS 78 Ca 0.58 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.91 1y8r h LYS 78 Cb 1.19 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1y8r h LYS 78 CO -0.90 0.30 -0.09 0.93 -2.27 0.00 0.00 179.45 177.43 1y8r h GLU 79 N 0.14 0.00 0.00 1.90 5.08 -1.45 -2.21 114.58 118.05 1y8r h GLU 79 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1y8r h GLU 79 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1y8r h GLU 79 CO -0.01 0.09 -1.28 1.28 -1.00 0.00 0.00 179.01 178.09 1y8r n LEU 80 N -3.55 0.55 -0.12 1.33 4.77 -0.80 -4.98 117.00 114.20 1y8r n LEU 80 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1y8r n LEU 80 Cb 0.21 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1y8r n LEU 80 CO 0.28 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1y8r n GLY 81 N 1.36 0.64 3.66 -0.72 0.00 0.97 -5.00 105.19 106.10 1y8r n GLY 81 Ca 0.01 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1y8r n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1y8r s MET 82 N -3.92 4.25 0.00 1.61 -1.94 0.20 -5.00 119.30 114.50 1y8r s MET 82 Ca 0.00 1.55 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 1y8r s MET 82 Cb 0.00 -3.71 0.00 0.00 2.01 0.00 0.00 34.83 33.13 1y8r s MET 82 CO 0.00 -0.66 0.00 0.39 -0.01 0.00 0.00 175.02 174.74 1y8r n GLU 83 N 6.42 1.54 -4.39 2.03 1.02 -1.26 -4.67 120.64 121.33 1y8r n GLU 83 Ca 0.13 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.93 1y8r n GLU 83 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.76 1y8r n GLU 83 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1y8r s GLU 84 N 4.18 3.37 0.00 3.49 2.56 -1.26 -4.42 118.70 126.62 1y8r s GLU 84 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.97 54.50 1y8r s GLU 84 Cb 0.00 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.27 1y8r s GLU 84 CO 0.00 0.44 0.00 0.39 -0.56 0.00 0.00 175.26 175.53 1y8r n GLU 85 N 2.93 -0.29 -2.10 4.30 -0.58 -0.46 -4.99 120.64 119.45 1y8r n GLU 85 Ca -0.18 0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.22 1y8r n GLU 85 Cb 0.53 -3.29 -0.02 0.00 -0.57 0.00 0.00 31.44 28.09 1y8r n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1y8r s ASP 86 N -2.01 6.76 -0.22 1.62 1.11 -1.26 -4.70 116.67 117.98 1y8r s ASP 86 Ca 0.00 2.62 -0.15 0.00 0.18 0.00 0.00 52.55 55.20 1y8r s ASP 86 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1y8r s ASP 86 CO 0.00 -0.59 0.38 -0.69 1.18 0.00 0.00 175.17 175.45 1y8r s VAL 87 N -0.48 5.21 -0.22 -1.27 1.01 -1.26 -1.52 120.40 121.87 1y8r s VAL 87 Ca 0.54 0.65 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 1y8r s VAL 87 Cb -0.40 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1y8r s VAL 87 CO 0.46 0.24 0.09 -0.63 0.00 0.00 0.00 175.10 175.26 1y8r s ILE 88 N 1.43 4.73 0.29 2.22 1.01 -0.61 -4.70 121.20 125.57 1y8r s ILE 88 Ca 0.17 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1y8r s ILE 88 Cb -0.15 -3.17 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 1y8r s ILE 88 CO 0.08 0.39 0.82 -1.61 0.00 0.00 0.00 174.94 174.62 1y8r s GLU 89 N 0.98 4.33 -0.02 2.79 2.02 0.28 -0.93 118.70 128.16 1y8r s GLU 89 Ca 0.05 1.03 0.05 0.00 0.02 0.00 0.00 54.97 56.11 1y8r s GLU 89 Cb -0.14 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1y8r s GLU 89 CO 0.03 0.29 -0.16 0.08 0.02 0.00 0.00 175.26 175.52 1y8r s VAL 90 N -1.67 1.31 -0.00 2.63 1.01 -0.49 0.13 120.40 123.32 1y8r s VAL 90 Ca 0.48 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1y8r s VAL 90 Cb -0.16 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1y8r s VAL 90 CO 0.21 0.37 -0.09 -0.31 0.00 0.00 0.00 175.10 175.28 1y8r s TYR 91 N -0.29 0.77 0.06 5.22 1.51 -0.85 -3.45 117.35 120.31 1y8r s TYR 91 Ca 0.04 -0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1y8r s TYR 91 Cb -0.07 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1y8r s TYR 91 CO -0.00 -0.01 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.20 1y8r s GLN 92 N -0.26 2.33 -0.25 -0.62 0.74 -1.26 -1.17 119.66 119.16 1y8r s GLN 92 Ca 0.03 -0.88 -0.28 0.00 0.05 0.00 0.00 55.36 54.28 1y8r s GLN 92 Cb -0.04 -2.39 0.01 0.00 1.10 0.00 0.00 33.01 31.69 1y8r s GLN 92 CO -0.00 0.55 1.01 -2.00 -0.55 0.00 0.00 175.29 174.30 1y8r s GLU 93 N -1.82 4.19 0.40 1.67 2.12 -0.64 -5.02 118.70 119.60 1y8r s GLU 93 Ca 0.19 1.21 -0.19 0.00 0.36 0.00 0.00 54.97 56.54 1y8r s GLU 93 Cb -0.11 -3.67 -0.10 0.00 0.26 0.00 0.00 34.13 30.51 1y8r s GLU 93 CO 0.11 -0.68 0.89 -0.65 -0.54 0.00 0.00 175.26 174.39 1y8r s GLN 94 N 3.24 4.15 0.00 4.30 -1.52 -1.26 -5.00 119.66 123.58 1y8r s GLN 94 Ca 0.43 0.98 0.02 0.00 -1.95 0.00 0.00 55.36 54.84 1y8r s GLN 94 Cb -0.14 -2.25 0.01 0.00 -0.22 0.00 0.00 33.01 30.41 1y8r s GLN 94 CO 0.09 0.01 0.48 0.25 -0.25 0.00 0.00 175.29 175.87 1y8r n THR 95 N -0.60 0.00 -2.42 -0.19 -2.24 -1.26 -5.02 114.28 102.54 1y8r n THR 95 Ca 0.06 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1y8r n THR 95 Cb 0.54 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1y8r n THR 95 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1y8r s GLY 96 N -0.32 2.30 0.00 3.38 0.00 -1.26 -5.38 107.32 106.04 1y8r s GLY 96 Ca 0.02 0.80 0.27 0.00 0.00 0.00 0.00 44.72 45.80 1y8r s GLY 96 CO 0.03 2.11 1.56 0.61 0.00 0.00 0.00 173.10 177.42