#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yop n VAL 2 N 0.00 0.25 -4.91 3.17 0.24 -1.26 -5.15 118.33 110.67 1yop n VAL 2 Ca 0.00 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 1yop n VAL 2 Cb 0.00 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 1yop n VAL 2 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1yop n SER 3 N -0.24 -3.89 -4.75 -1.34 2.88 -1.26 -4.78 113.62 100.25 1yop n SER 3 Ca -0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.14 1yop n SER 3 Cb 0.90 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.45 1yop n SER 3 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1yop s THR 4 N 0.00 2.95 -0.16 2.46 -4.23 -1.26 -4.98 115.64 110.42 1yop s THR 4 Ca 0.00 0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1yop s THR 4 Cb 0.00 -2.77 -0.23 0.00 1.34 0.00 0.00 72.50 70.84 1yop s THR 4 CO 0.00 -0.36 0.21 -1.22 -0.54 0.00 0.00 174.62 172.72 1yop n TYR 5 N -3.31 0.58 -3.94 3.99 4.02 -1.23 -5.05 117.16 112.23 1yop n TYR 5 Ca 0.10 0.16 -0.10 0.00 -0.01 0.00 0.00 57.90 58.05 1yop n TYR 5 Cb 0.52 -1.09 -0.02 0.00 -0.02 0.00 0.00 39.34 38.73 1yop n TYR 5 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1yop s ASP 6 N -6.31 0.10 -0.17 7.72 2.15 -1.26 -5.13 116.67 113.77 1yop s ASP 6 Ca -0.19 -1.03 -0.01 0.00 0.43 0.00 0.00 52.55 51.75 1yop s ASP 6 Cb 0.07 0.71 0.05 0.00 -0.30 0.00 0.00 42.92 43.44 1yop s ASP 6 CO 0.75 -1.37 -0.03 -0.70 -0.17 0.00 0.00 175.17 173.66 1yop s GLU 7 N -3.34 1.18 0.29 4.34 2.12 -1.26 -2.96 118.70 119.07 1yop s GLU 7 Ca 0.20 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 1yop s GLU 7 Cb -0.03 -1.95 -0.05 0.00 0.26 0.00 0.00 34.13 32.37 1yop s GLU 7 CO 0.12 -0.47 0.53 0.42 -0.54 0.00 0.00 175.26 175.31 1yop s ILE 8 N 1.71 5.06 0.07 -3.70 -1.09 -1.03 -4.93 121.20 117.28 1yop s ILE 8 Ca 0.00 -0.09 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1yop s ILE 8 Cb -0.16 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1yop s ILE 8 CO -0.07 -0.35 -0.25 -1.83 -1.23 0.00 0.00 174.94 171.21 1yop s GLU 9 N -3.66 1.76 0.43 2.79 1.03 -1.26 0.69 118.70 120.48 1yop s GLU 9 Ca 0.42 -1.14 0.10 0.00 0.03 0.00 0.00 54.97 54.38 1yop s GLU 9 Cb -0.11 -2.01 0.94 0.00 -0.80 0.00 0.00 34.13 32.16 1yop s GLU 9 CO 0.31 0.50 2.05 0.97 -1.33 0.00 0.00 175.26 177.77 1yop h ILE 10 N 4.07 1.05 -0.15 1.83 6.09 -1.23 -1.30 117.51 127.87 1yop h ILE 10 Ca -0.48 -0.16 -0.07 0.00 -1.37 0.00 0.00 64.86 62.79 1yop h ILE 10 Cb 1.15 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 1yop h ILE 10 CO 0.43 0.08 -0.21 -0.33 -3.07 0.00 0.00 178.15 175.06 1yop h GLU 11 N 0.46 0.25 -1.10 2.19 5.08 -1.96 -2.78 114.58 116.72 1yop h GLU 11 Ca 0.16 -0.07 -0.64 0.00 -1.00 0.00 0.00 59.36 57.81 1yop h GLU 11 Cb 0.07 -0.03 -0.27 0.00 0.50 0.00 0.00 28.75 29.03 1yop h GLU 11 CO -0.04 0.45 0.82 -3.47 -1.00 0.00 0.00 179.01 175.78 1yop n ASP 12 N -4.20 7.55 -4.30 1.42 -0.08 -0.49 -4.94 116.55 111.51 1yop n ASP 12 Ca -0.01 -3.70 -0.16 0.00 -1.51 0.00 0.00 54.79 49.42 1yop n ASP 12 Cb 0.33 -0.99 -0.10 0.00 2.34 0.00 0.00 41.12 42.69 1yop n ASP 12 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1yop s MET 13 N -3.57 1.23 -0.27 -0.67 1.75 -1.05 -4.77 119.30 111.95 1yop s MET 13 Ca 0.60 -1.60 -0.14 0.00 -1.25 0.00 0.00 55.69 53.31 1yop s MET 13 Cb 0.47 -0.56 -0.04 0.00 2.84 0.00 0.00 34.83 37.54 1yop s MET 13 CO -0.02 -0.06 0.33 0.99 -0.65 0.00 0.00 175.02 175.62 1yop s THR 14 N -3.43 5.20 -0.15 10.11 2.01 -1.02 -5.03 115.64 123.33 1yop s THR 14 Ca 0.25 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 1yop s THR 14 Cb 0.05 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1yop s THR 14 CO 0.06 0.17 0.19 0.72 -0.69 0.00 0.00 174.62 175.08 1yop s PHE 15 N 2.00 3.51 -0.61 4.92 -0.12 -1.26 -1.25 117.98 125.17 1yop s PHE 15 Ca 0.13 0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 57.44 1yop s PHE 15 Cb -0.16 -2.14 0.16 0.00 -0.63 0.00 0.00 43.02 40.25 1yop s PHE 15 CO 0.10 0.46 0.48 -1.21 -0.05 0.00 0.00 175.22 175.00 1yop s GLU 16 N -0.19 2.78 -1.00 1.99 2.02 0.79 -4.98 118.70 120.11 1yop s GLU 16 Ca 0.14 -2.20 -0.14 0.00 0.02 0.00 0.00 54.97 52.79 1yop s GLU 16 Cb -0.12 -3.98 -0.08 0.00 0.10 0.00 0.00 34.13 30.04 1yop s GLU 16 CO 0.03 -1.21 2.14 -0.35 0.02 0.00 0.00 175.26 175.88 1yop n PRO 17 N 4.19 2.12 0.00 0.39 -0.04 -1.26 -3.47 135.00 136.92 1yop n PRO 17 Ca 0.03 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1yop n PRO 17 Cb 0.41 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1yop n PRO 17 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1yop n GLU 18 N 5.49 0.00 -1.60 0.54 0.28 -1.26 -4.94 120.64 119.15 1yop n GLU 18 Ca 0.51 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.53 1yop n GLU 18 Cb 0.28 -0.13 0.06 0.00 1.43 0.00 0.00 31.44 33.08 1yop n GLU 18 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1yop n ASN 19 N -2.56 1.41 -3.46 -1.84 2.85 -1.25 -4.85 115.26 105.57 1yop n ASN 19 Ca 0.00 -2.42 -0.22 0.00 -0.11 0.00 0.00 54.58 51.83 1yop n ASN 19 Cb 0.10 -0.37 0.06 0.00 1.24 0.00 0.00 39.78 40.81 1yop n ASN 19 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1yop n GLN 20 N -0.03 -2.03 -4.04 1.20 -0.06 -1.25 -4.99 117.38 106.18 1yop n GLN 20 Ca 0.10 0.68 -0.09 0.00 -2.00 0.00 0.00 57.00 55.70 1yop n GLN 20 Cb 1.00 -5.09 -0.09 0.00 -4.06 0.00 0.00 30.24 22.00 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yop s MET 21 N -5.15 0.90 -0.09 3.69 0.23 -1.23 -3.34 119.30 114.32 1yop s MET 21 Ca 0.44 -1.24 -0.15 0.00 -1.03 0.00 0.00 55.69 53.70 1yop s MET 21 Cb -0.10 0.29 0.03 0.00 -1.53 0.00 0.00 34.83 33.52 1yop s MET 21 CO 0.79 -0.27 0.37 -0.59 -2.03 0.00 0.00 175.02 173.30 1yop s PHE 22 N -3.97 -0.35 0.22 3.16 -0.71 -0.96 -0.15 117.98 115.23 1yop s PHE 22 Ca 0.15 0.75 0.02 0.00 -1.04 0.00 0.00 56.93 56.81 1yop s PHE 22 Cb 0.06 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 1yop s PHE 22 CO -0.03 -0.30 0.05 0.95 -1.34 0.00 0.00 175.22 174.55 1yop s THR 23 N -0.45 0.62 -0.19 -4.49 -4.23 -0.38 -2.71 115.64 103.81 1yop s THR 23 Ca -0.06 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 1yop s THR 23 Cb -0.04 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.46 1yop s THR 23 CO 0.02 -0.22 0.48 -0.47 -0.54 0.00 0.00 174.62 173.89 1yop s TYR 24 N -3.71 -0.59 -0.52 3.99 6.14 -0.79 -2.43 117.35 119.44 1yop s TYR 24 Ca 0.31 1.35 -0.27 0.00 0.64 0.00 0.00 57.07 59.11 1yop s TYR 24 Cb 0.07 0.24 -0.03 0.00 0.42 0.00 0.00 41.96 42.65 1yop s TYR 24 CO 0.09 -0.30 2.01 -1.25 0.64 0.00 0.00 175.55 176.75 1yop s PRO 25 N 0.65 2.61 0.35 4.97 0.04 -1.26 0.56 135.00 142.92 1yop s PRO 25 Ca -0.03 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 1yop s PRO 25 Cb -0.05 -4.41 -0.11 0.00 0.04 0.00 0.00 34.50 29.97 1yop s PRO 25 CO -0.04 -2.72 1.44 0.00 0.04 0.00 0.00 177.00 175.71 1yop h PRO 27 N 3.42 0.00 -0.27 0.00 0.11 -1.93 0.06 132.00 133.39 1yop h PRO 27 Ca -0.50 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1yop h PRO 27 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1yop h PRO 27 CO 0.67 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.05 1yop n GLY 29 N 0.04 3.33 2.77 0.00 0.00 0.01 -5.05 105.19 106.28 1yop n GLY 29 Ca -0.02 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1yop n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yop n ASP 30 N 0.00 -1.93 -4.07 1.61 2.03 -1.26 -4.66 116.55 108.27 1yop n ASP 30 Ca 0.00 -1.02 -0.32 0.00 0.52 0.00 0.00 54.79 53.97 1yop n ASP 30 Cb 0.00 -0.80 -0.16 0.00 -0.72 0.00 0.00 41.12 39.44 1yop n ASP 30 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1yop s ARG 31 N -4.96 2.62 0.45 -0.67 6.06 -1.26 -0.11 118.95 121.09 1yop s ARG 31 Ca 0.56 -0.80 -0.25 0.00 -2.50 0.00 0.00 55.73 52.74 1yop s ARG 31 Cb -0.06 -2.45 -0.08 0.00 0.06 0.00 0.00 34.95 32.42 1yop s ARG 31 CO 0.43 -0.27 1.44 0.34 -2.50 0.00 0.00 175.30 174.74 1yop n PHE 32 N 4.65 2.72 -4.13 5.12 7.35 0.19 -4.76 117.46 128.60 1yop n PHE 32 Ca -0.19 0.44 -0.15 0.00 -0.76 0.00 0.00 57.45 56.79 1yop n PHE 32 Cb 0.49 -2.46 -0.13 0.00 0.35 0.00 0.00 39.48 37.72 1yop n PHE 32 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1yop s GLN 33 N -2.46 0.48 -0.24 -4.13 -2.07 -1.26 -1.89 119.66 108.10 1yop s GLN 33 Ca 0.61 -0.42 -0.29 0.00 -1.82 0.00 0.00 55.36 53.44 1yop s GLN 33 Cb -0.45 -0.38 0.17 0.00 -1.09 0.00 0.00 33.01 31.26 1yop s GLN 33 CO 0.57 0.09 1.22 -1.50 -1.32 0.00 0.00 175.29 174.36 1yop s ILE 34 N -0.62 0.00 0.25 3.63 2.07 -1.10 -5.04 121.20 120.39 1yop s ILE 34 Ca -0.03 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.26 1yop s ILE 34 Cb -0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 1yop s ILE 34 CO 0.00 0.00 0.38 -0.31 -1.91 0.00 0.00 174.94 173.10 1yop s TYR 35 N -0.96 3.46 0.17 3.50 1.51 -1.26 -2.27 117.35 121.50 1yop s TYR 35 Ca 0.05 0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 56.02 1yop s TYR 35 Cb -0.01 -1.63 0.07 0.00 -0.11 0.00 0.00 41.96 40.28 1yop s TYR 35 CO -0.05 0.40 1.82 -0.07 -1.11 0.00 0.00 175.55 176.54 1yop h LEU 36 N 1.18 0.66 -0.99 -1.29 4.07 -1.94 -2.33 115.31 114.67 1yop h LEU 36 Ca -0.51 -0.05 0.05 0.00 0.08 0.00 0.00 57.88 57.45 1yop h LEU 36 Cb 1.23 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 1yop h LEU 36 CO 0.62 0.51 0.64 -0.78 -1.08 0.00 0.00 178.44 178.35 1yop h ASP 37 N 0.75 1.05 -0.76 -0.43 3.58 -1.96 -1.77 116.42 116.87 1yop h ASP 37 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1yop h ASP 37 Cb -0.03 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 1yop h ASP 37 CO -0.04 0.69 0.49 0.44 -2.88 0.00 0.00 179.24 177.94 1yop h ASP 38 N 1.20 0.88 -0.58 2.28 3.32 -1.84 -1.52 116.42 120.17 1yop h ASP 38 Ca 0.41 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 57.10 1yop h ASP 38 Cb 0.09 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 39.25 1yop h ASP 38 CO -0.15 0.65 0.42 0.23 -1.72 0.00 0.00 179.24 178.68 1yop n MET 39 N -4.54 1.81 0.00 3.56 2.81 -0.70 -3.68 117.12 116.38 1yop n MET 39 Ca 0.07 -1.79 0.00 0.00 -1.81 0.00 0.00 57.70 54.17 1yop n MET 39 Cb 0.03 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 1yop n MET 39 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1yop n PHE 40 N -0.26 0.00 -0.20 2.03 7.35 -0.75 -4.78 117.46 120.84 1yop n PHE 40 Ca 0.35 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.99 1yop n PHE 40 Cb 0.98 0.29 0.05 0.00 0.35 0.00 0.00 39.48 41.15 1yop n PHE 40 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1yop h GLU 41 N 0.00 0.67 0.00 -4.13 4.81 -1.46 -3.44 114.58 111.03 1yop h GLU 41 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1yop h GLU 41 Cb 0.20 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1yop h GLU 41 CO 0.00 0.44 0.00 0.41 -0.73 0.00 0.00 179.01 179.13 1yop n GLY 42 N -1.26 -1.83 3.13 1.92 0.00 -1.26 -5.16 105.19 100.74 1yop n GLY 42 Ca 0.05 0.77 -0.09 0.00 0.00 0.00 0.00 46.02 46.75 1yop n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yop s GLU 43 N 0.00 0.63 0.00 1.61 2.56 -1.24 -5.04 118.70 117.22 1yop s GLU 43 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.16 1yop s GLU 43 Cb 0.00 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.38 1yop s GLU 43 CO 0.00 -0.16 0.00 0.36 -0.56 0.00 0.00 175.26 174.90 1yop n LYS 44 N 0.59 0.00 -3.70 4.30 2.85 -1.26 -4.71 118.16 116.22 1yop n LYS 44 Ca -0.18 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.71 1yop n LYS 44 Cb 0.59 -0.03 -0.12 0.00 -0.65 0.00 0.00 35.03 34.83 1yop n LYS 44 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1yop s VAL 45 N -1.74 4.71 0.47 0.58 0.11 -1.26 -2.68 120.40 120.59 1yop s VAL 45 Ca 0.00 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.07 1yop s VAL 45 Cb 0.00 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 1yop s VAL 45 CO 0.00 0.31 0.27 0.00 -3.33 0.00 0.00 175.10 172.35 1yop s ALA 46 N 1.63 4.01 -0.02 1.54 0.00 -1.14 -4.98 121.76 122.79 1yop s ALA 46 Ca 0.06 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.46 1yop s ALA 46 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1yop s ALA 46 CO 0.06 -0.26 -0.14 0.08 0.00 0.00 0.00 175.76 175.50 1yop s VAL 47 N -2.67 1.18 0.16 0.00 1.01 -1.26 -3.32 120.40 115.49 1yop s VAL 47 Ca 0.36 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1yop s VAL 47 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 1yop s VAL 47 CO 0.21 0.34 1.00 0.00 0.00 0.00 0.00 175.10 176.65 1yop n PRO 49 N 2.38 1.73 0.08 0.00 -0.04 -1.26 -1.81 135.00 136.08 1yop n PRO 49 Ca 0.02 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1yop n PRO 49 Cb 0.48 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1yop n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1yop n SER 50 N 0.14 0.27 0.04 3.54 7.64 -1.26 -4.89 113.62 119.10 1yop n SER 50 Ca 0.08 0.25 0.11 0.00 1.01 0.00 0.00 58.87 60.32 1yop n SER 50 Cb 0.52 0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 1yop n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yop n SER 52 N -2.36 -5.45 -4.86 0.00 7.64 -0.75 -5.00 113.62 102.84 1yop n SER 52 Ca -0.02 -0.47 -0.36 0.00 1.01 0.00 0.00 58.87 59.04 1yop n SER 52 Cb 0.54 -4.37 -0.06 0.00 -1.01 0.00 0.00 64.21 59.31 1yop n SER 52 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yop s LEU 53 N -6.33 4.40 -0.14 -3.43 2.96 -1.26 -4.82 118.68 110.06 1yop s LEU 53 Ca 0.46 0.78 -0.18 0.00 -0.22 0.00 0.00 54.13 54.97 1yop s LEU 53 Cb -0.20 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1yop s LEU 53 CO 0.62 0.26 0.48 -0.04 -1.32 0.00 0.00 176.35 176.35 1yop s MET 54 N -1.54 4.30 -0.00 1.98 -1.94 -1.26 -3.34 119.30 117.49 1yop s MET 54 Ca 0.27 0.42 0.01 0.00 -1.71 0.00 0.00 55.69 54.69 1yop s MET 54 Cb -0.14 -3.47 -0.00 0.00 2.01 0.00 0.00 34.83 33.22 1yop s MET 54 CO 0.15 0.08 -0.03 0.96 -0.01 0.00 0.00 175.02 176.17 1yop s ILE 55 N 0.90 0.24 -0.84 2.53 -4.36 -1.21 -3.54 121.20 114.92 1yop s ILE 55 Ca 0.25 -0.12 -0.14 0.00 -0.26 0.00 0.00 60.65 60.38 1yop s ILE 55 Cb -0.15 -0.22 0.21 0.00 1.25 0.00 0.00 42.46 43.55 1yop s ILE 55 CO 0.10 0.07 0.80 -1.81 0.24 0.00 0.00 174.94 174.34 1yop s ASP 56 N -0.01 6.75 -0.36 4.36 1.01 -1.15 -2.90 116.67 124.36 1yop s ASP 56 Ca 0.01 -2.63 -0.24 0.00 0.71 0.00 0.00 52.55 50.40 1yop s ASP 56 Cb -0.02 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.69 1yop s ASP 56 CO -0.00 -0.62 0.81 0.54 0.21 0.00 0.00 175.17 176.11 1yop s VAL 57 N 0.40 4.71 0.30 -1.27 0.11 -1.09 -2.48 120.40 121.07 1yop s VAL 57 Ca 0.19 0.95 -0.27 0.00 -2.93 0.00 0.00 61.98 59.92 1yop s VAL 57 Cb -0.10 -4.23 -0.10 0.00 -1.53 0.00 0.00 36.38 30.43 1yop s VAL 57 CO -0.09 -0.44 0.95 0.54 -3.33 0.00 0.00 175.10 172.73 1yop s VAL 58 N 3.15 4.13 0.38 2.04 0.11 0.22 -4.77 120.40 125.67 1yop s VAL 58 Ca 0.33 1.89 0.04 0.00 -2.93 0.00 0.00 61.98 61.31 1yop s VAL 58 Cb -0.13 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.58 1yop s VAL 58 CO 0.17 0.27 0.16 0.72 -3.33 0.00 0.00 175.10 173.09 1yop s PHE 59 N -1.45 1.76 0.00 1.54 -0.71 -1.26 -0.64 117.98 117.22 1yop s PHE 59 Ca 0.47 -1.37 0.00 0.00 -1.04 0.00 0.00 56.93 54.99 1yop s PHE 59 Cb -0.22 -1.05 0.00 0.00 -1.21 0.00 0.00 43.02 40.55 1yop s PHE 59 CO 0.27 -0.43 0.00 -3.47 -1.34 0.00 0.00 175.22 170.25 1yop n ASP 60 N -1.32 1.81 -0.04 1.98 -0.08 -1.26 -4.97 116.55 112.67 1yop n ASP 60 Ca -0.03 -0.71 -0.07 0.00 -1.51 0.00 0.00 54.79 52.47 1yop n ASP 60 Cb 0.64 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.07 1yop n ASP 60 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1yop n LYS 61 N 0.00 0.19 0.00 -0.67 4.76 -1.26 -4.66 118.16 116.51 1yop n LYS 61 Ca 0.00 0.06 0.02 0.00 -2.87 0.00 0.00 58.31 55.52 1yop n LYS 61 Cb 0.00 -0.98 0.37 0.00 -1.84 0.00 0.00 35.03 32.58 1yop n LYS 61 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1yop h GLU 62 N -0.15 0.53 -0.50 1.97 5.08 -1.99 -2.09 114.58 117.43 1yop h GLU 62 Ca -0.19 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1yop h GLU 62 Cb 1.23 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1yop h GLU 62 CO -0.08 0.44 0.34 0.38 -1.00 0.00 0.00 179.01 179.09 1yop h ASP 63 N 0.53 0.27 0.01 1.42 3.04 -1.99 0.30 116.42 120.01 1yop h ASP 63 Ca 0.13 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1yop h ASP 63 Cb 0.10 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 1yop h ASP 63 CO -0.01 0.16 -0.01 -0.07 -2.04 0.00 0.00 179.24 177.27 1yop h LEU 64 N 0.30 -0.01 -1.12 0.15 4.07 -1.66 -2.50 115.31 114.54 1yop h LEU 64 Ca 0.23 -0.65 0.09 0.00 0.08 0.00 0.00 57.88 57.64 1yop h LEU 64 Cb 0.52 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.20 1yop h LEU 64 CO -0.05 0.80 0.61 0.00 -1.08 0.00 0.00 178.44 178.71 1yop h ALA 65 N -0.31 1.56 -0.43 1.53 0.00 -1.21 0.13 119.26 120.53 1yop h ALA 65 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1yop h ALA 65 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1yop h ALA 65 CO 0.00 0.26 -0.26 1.49 0.00 0.00 0.00 179.25 180.74 1yop h GLU 66 N 0.98 0.94 -0.47 0.00 4.81 -0.51 -2.86 114.58 117.47 1yop h GLU 66 Ca 0.44 -0.43 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1yop h GLU 66 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1yop h GLU 66 CO -0.19 1.09 -0.24 -0.92 -0.73 0.00 0.00 179.01 178.02 1yop h TYR 67 N 0.77 1.14 -0.80 0.92 3.20 -0.79 -0.43 116.97 120.97 1yop h TYR 67 Ca 0.09 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1yop h TYR 67 Cb 0.84 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1yop h TYR 67 CO 0.06 1.11 0.51 1.88 -1.64 0.00 0.00 178.16 180.08 1yop h TYR 68 N 0.84 1.04 0.04 -3.82 -1.99 -0.76 0.52 116.97 112.84 1yop h TYR 68 Ca 0.10 0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.62 1yop h TYR 68 Cb 0.82 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1yop h TYR 68 CO 0.05 0.67 -1.02 1.05 -0.00 0.00 0.00 178.16 178.92 1yop h GLU 69 N 1.10 0.23 0.05 4.88 4.11 -1.45 -3.35 114.58 120.15 1yop h GLU 69 Ca 0.29 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1yop h GLU 69 Cb -0.08 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1yop h GLU 69 CO -0.06 1.07 -0.03 0.93 0.07 0.00 0.00 179.01 180.99 1yop h GLU 70 N 0.10 -0.07 -6.68 1.06 4.39 -0.74 -3.45 114.58 109.20 1yop h GLU 70 Ca -0.07 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.12 1yop h GLU 70 Cb 1.70 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1yop h GLU 70 CO 0.16 0.54 0.43 0.00 -1.16 0.00 0.00 179.01 178.98 1yop s ALA 71 N -3.41 3.35 -0.41 3.43 0.00 0.18 -4.95 121.76 119.95 1yop s ALA 71 Ca -0.15 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 1yop s ALA 71 Cb -0.00 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.86 1yop s ALA 71 CO 0.59 -0.10 2.78 0.41 0.00 0.00 0.00 175.76 179.44 1yop n GLY 72 N 1.87 4.23 0.16 0.00 0.00 -1.26 -4.49 105.19 105.70 1yop n GLY 72 Ca 0.01 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1yop n GLY 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yop h ILE 73 N 1.92 1.38 -2.45 -0.61 6.09 -1.89 -3.41 117.51 118.55 1yop h ILE 73 Ca 0.37 -2.50 -0.57 0.00 -1.37 0.00 0.00 64.86 60.79 1yop h ILE 73 Cb 0.79 2.51 -0.38 0.00 0.47 0.00 0.00 36.82 40.22 1yop h ILE 73 CO 0.82 0.75 -0.89 -2.28 -3.07 0.00 0.00 178.15 173.48 1yop s HIS 74 N -3.16 0.78 0.65 2.19 2.46 -1.26 -5.14 115.29 111.80 1yop s HIS 74 Ca -0.06 -1.85 -0.15 0.00 0.47 0.00 0.00 55.06 53.46 1yop s HIS 74 Cb 0.08 -0.87 -0.01 0.00 -0.13 0.00 0.00 32.58 31.65 1yop s HIS 74 CO 0.88 -0.84 1.11 -1.25 -2.47 0.00 0.00 174.74 172.17 1yop s PRO 75 N 0.68 2.87 0.21 2.88 0.04 -1.26 -4.96 135.00 135.47 1yop s PRO 75 Ca 0.24 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 1yop s PRO 75 Cb -0.12 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 1yop s PRO 75 CO -0.08 -1.19 1.42 -2.30 0.04 0.00 0.00 177.00 174.89 1yop n PRO 76 N -2.32 1.95 -2.87 0.56 -0.02 -1.26 -4.97 135.00 126.06 1yop n PRO 76 Ca 0.10 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 1yop n PRO 76 Cb 0.52 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1yop n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1yop s GLU 77 N -0.10 0.55 1.24 -0.52 2.12 -1.26 -5.17 118.70 115.56 1yop s GLU 77 Ca 0.71 -0.35 -0.16 0.00 0.36 0.00 0.00 54.97 55.53 1yop s GLU 77 Cb -0.68 0.02 0.29 0.00 0.26 0.00 0.00 34.13 34.02 1yop s GLU 77 CO 0.47 -0.74 0.82 -2.30 -0.54 0.00 0.00 175.26 172.97 1yop n PRO 78 N 3.52 -2.94 0.02 4.30 -0.02 -1.26 -4.99 135.00 133.63 1yop n PRO 78 Ca 0.11 -0.84 -0.22 0.00 -2.02 0.00 0.00 63.50 60.53 1yop n PRO 78 Cb 0.60 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 1yop n PRO 78 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1yop h ILE 79 N -2.85 0.98 0.00 4.25 1.08 -2.02 -3.45 117.51 115.51 1yop h ILE 79 Ca -0.57 -2.41 -0.10 0.00 -0.39 0.00 0.00 64.86 61.38 1yop h ILE 79 Cb 1.33 2.70 -0.09 0.00 -3.07 0.00 0.00 36.82 37.69 1yop h ILE 79 CO 0.43 0.74 -0.10 0.00 -0.69 0.00 0.00 178.15 178.53 1yop n ALA 80 N -2.96 -0.00 -3.10 1.87 0.00 -1.26 -4.98 120.51 110.08 1yop n ALA 80 Ca -0.26 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.38 1yop n ALA 80 Cb 0.94 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 19.62 1yop n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop n ALA 81 N -0.70 -0.99 -0.04 0.00 0.00 -1.26 -4.90 120.51 112.63 1yop n ALA 81 Ca -0.12 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1yop n ALA 81 Cb 0.70 -2.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.19 1yop n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop h ALA 82 N 0.99 0.00 0.00 0.00 0.00 -1.98 -3.54 119.26 114.73 1yop h ALA 82 Ca -0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1yop h ALA 82 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1yop h ALA 82 CO 0.52 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.96