#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 1.32 -2.69 2.03 0.31 -1.26 -4.96 118.33 113.09 1yop n VAL 2 Ca 0.00 -0.48 -0.41 0.00 -0.01 0.00 0.00 64.34 63.43 1yop n VAL 2 Cb 0.00 -1.38 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 1yop n VAL 2 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1yop s SER 3 N -6.36 7.42 0.05 4.52 1.04 -1.26 -5.04 113.70 114.09 1yop s SER 3 Ca -0.31 1.81 -0.27 0.00 0.48 0.00 0.00 55.95 57.66 1yop s SER 3 Cb 0.09 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 63.71 1yop s SER 3 CO 0.52 -0.14 0.78 0.28 0.98 0.00 0.00 173.24 175.65 1yop s THR 4 N 0.24 0.00 -0.17 2.02 -1.32 -1.26 -4.90 115.64 110.26 1yop s THR 4 Ca 0.49 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.10 1yop s THR 4 Cb -0.24 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.56 1yop s THR 4 CO 0.30 0.00 0.03 -1.22 -2.21 0.00 0.00 174.62 171.52 1yop n TYR 5 N -0.27 0.00 -3.70 9.09 4.01 -1.15 -5.06 117.16 120.08 1yop n TYR 5 Ca -0.12 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.53 1yop n TYR 5 Cb 0.63 -0.81 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 1yop n TYR 5 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1yop s ASP 6 N -5.13 -0.35 -0.13 7.72 2.15 -1.26 -5.10 116.67 114.57 1yop s ASP 6 Ca -0.11 -0.40 -0.03 0.00 0.43 0.00 0.00 52.55 52.45 1yop s ASP 6 Cb 0.05 0.65 0.04 0.00 -0.30 0.00 0.00 42.92 43.36 1yop s ASP 6 CO 0.65 -1.16 0.03 -0.70 -0.17 0.00 0.00 175.17 173.82 1yop s GLU 7 N -3.86 0.46 0.13 4.34 2.12 -1.26 -1.83 118.70 118.80 1yop s GLU 7 Ca 0.08 -0.07 0.08 0.00 0.36 0.00 0.00 54.97 55.42 1yop s GLU 7 Cb -0.03 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 1yop s GLU 7 CO -0.01 -0.48 -0.10 0.42 -0.54 0.00 0.00 175.26 174.54 1yop s ILE 8 N 1.98 3.28 0.07 -3.70 1.09 -1.07 -4.99 121.20 117.87 1yop s ILE 8 Ca 0.03 -1.40 -0.03 0.00 -1.10 0.00 0.00 60.65 58.14 1yop s ILE 8 Cb -0.14 -2.56 -0.05 0.00 -1.06 0.00 0.00 42.46 38.65 1yop s ILE 8 CO -0.07 0.04 0.28 -1.61 -0.10 0.00 0.00 174.94 173.49 1yop s GLU 9 N -2.39 3.53 0.49 2.79 2.02 -1.26 -1.41 118.70 122.46 1yop s GLU 9 Ca 0.22 -0.23 0.15 0.00 0.02 0.00 0.00 54.97 55.14 1yop s GLU 9 Cb -0.10 -2.99 1.17 0.00 0.10 0.00 0.00 34.13 32.30 1yop s GLU 9 CO 0.14 0.58 2.08 0.97 0.02 0.00 0.00 175.26 179.04 1yop h ILE 10 N 2.35 0.96 0.00 -1.63 2.10 -1.59 -0.89 117.51 118.81 1yop h ILE 10 Ca -0.47 -0.06 -0.02 0.00 1.08 0.00 0.00 64.86 65.39 1yop h ILE 10 Cb 1.17 0.76 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1yop h ILE 10 CO 0.72 0.03 -0.12 -0.33 -1.08 0.00 0.00 178.15 177.38 1yop h GLU 11 N 0.18 0.00 -1.15 2.19 5.08 -1.94 -2.44 114.58 116.50 1yop h GLU 11 Ca 0.12 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.01 1yop h GLU 11 Cb 0.24 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.26 1yop h GLU 11 CO -0.02 0.12 0.60 -0.25 -1.00 0.00 0.00 179.01 178.46 1yop n ASP 12 N -4.04 5.76 -4.76 1.42 9.92 -0.34 -4.93 116.55 119.58 1yop n ASP 12 Ca -0.02 -3.36 -0.32 0.00 -0.53 0.00 0.00 54.79 50.56 1yop n ASP 12 Cb 0.20 -0.92 -0.07 0.00 -0.64 0.00 0.00 41.12 39.69 1yop n ASP 12 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1yop s MET 13 N -2.74 2.18 -0.81 -1.24 -1.94 -0.92 -4.90 119.30 108.93 1yop s MET 13 Ca 0.47 -2.33 -0.05 0.00 -1.71 0.00 0.00 55.69 52.07 1yop s MET 13 Cb 0.38 -1.60 0.20 0.00 2.01 0.00 0.00 34.83 35.82 1yop s MET 13 CO 0.03 -0.34 0.68 0.99 -0.01 0.00 0.00 175.02 176.37 1yop s THR 14 N -2.84 4.49 0.12 2.05 2.01 0.58 -4.90 115.64 117.15 1yop s THR 14 Ca 0.12 -3.26 -0.23 0.00 0.31 0.00 0.00 61.69 58.63 1yop s THR 14 Cb 0.02 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 1yop s THR 14 CO 0.07 -1.01 0.69 0.72 -0.69 0.00 0.00 174.62 174.39 1yop s PHE 15 N -0.62 3.85 0.06 4.92 -0.12 -1.26 -2.26 117.98 122.55 1yop s PHE 15 Ca 0.22 1.47 0.00 0.00 -0.05 0.00 0.00 56.93 58.58 1yop s PHE 15 Cb -0.13 -2.66 -0.04 0.00 -0.63 0.00 0.00 43.02 39.56 1yop s PHE 15 CO -0.08 0.53 -0.04 -1.21 -0.05 0.00 0.00 175.22 174.36 1yop s GLU 16 N -1.04 0.62 0.12 1.99 2.02 -0.38 -4.97 118.70 117.06 1yop s GLU 16 Ca 0.33 -1.13 0.12 0.00 0.02 0.00 0.00 54.97 54.31 1yop s GLU 16 Cb -0.21 0.06 0.58 0.00 0.10 0.00 0.00 34.13 34.65 1yop s GLU 16 CO 0.23 -0.07 1.37 -2.30 0.02 0.00 0.00 175.26 174.51 1yop n PRO 17 N 0.37 0.06 -1.88 0.39 -0.02 -1.26 -2.87 135.00 129.79 1yop n PRO 17 Ca -0.16 0.48 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 1yop n PRO 17 Cb 0.60 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 1yop n PRO 17 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1yop s GLU 18 N -3.19 2.03 -1.88 -0.52 -1.05 -1.26 -3.34 118.70 109.49 1yop s GLU 18 Ca 0.01 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1yop s GLU 18 Cb 0.05 -5.09 0.00 0.00 -0.44 0.00 0.00 34.13 28.65 1yop s GLU 18 CO 0.16 -4.37 0.00 0.09 0.95 0.00 0.00 175.26 172.09 1yop n ASN 19 N 16.29 -5.31 -3.11 0.83 3.02 -1.26 -3.66 115.26 122.05 1yop n ASN 19 Ca 0.43 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 55.14 1yop n ASN 19 Cb 0.46 -4.44 0.02 0.00 -0.61 0.00 0.00 39.78 35.21 1yop n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yop n GLN 20 N -2.56 -2.08 -4.25 3.52 6.02 -1.19 -4.76 117.38 112.09 1yop n GLN 20 Ca -0.20 1.77 -0.17 0.00 -0.01 0.00 0.00 57.00 58.40 1yop n GLN 20 Cb 0.63 -4.51 -0.14 0.00 1.02 0.00 0.00 30.24 27.25 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yop s MET 21 N -2.77 0.66 -0.06 -1.09 0.23 -1.14 -2.75 119.30 112.39 1yop s MET 21 Ca 0.24 -0.49 0.03 0.00 -1.03 0.00 0.00 55.69 54.44 1yop s MET 21 Cb -0.05 -0.60 0.01 0.00 -1.53 0.00 0.00 34.83 32.66 1yop s MET 21 CO 0.80 0.15 -0.14 -0.59 -2.03 0.00 0.00 175.02 173.21 1yop s PHE 22 N -0.59 1.55 0.24 3.16 -0.71 -0.91 -1.25 117.98 119.47 1yop s PHE 22 Ca -0.00 -0.52 0.11 0.00 -1.04 0.00 0.00 56.93 55.47 1yop s PHE 22 Cb -0.06 -1.09 -0.05 0.00 -1.21 0.00 0.00 43.02 40.61 1yop s PHE 22 CO 0.00 -0.23 -0.19 0.95 -1.34 0.00 0.00 175.22 174.41 1yop s THR 23 N 0.39 2.21 -0.01 -4.49 -4.23 -0.96 -2.92 115.64 105.64 1yop s THR 23 Ca -0.10 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.15 1yop s THR 23 Cb -0.14 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.54 1yop s THR 23 CO 0.03 -0.40 0.01 -0.47 -0.54 0.00 0.00 174.62 173.25 1yop s TYR 24 N -2.46 0.02 -0.63 3.99 6.14 -1.04 -0.31 117.35 123.06 1yop s TYR 24 Ca 0.25 0.03 -0.27 0.00 0.64 0.00 0.00 57.07 57.73 1yop s TYR 24 Cb -0.04 -0.07 -0.00 0.00 0.42 0.00 0.00 41.96 42.26 1yop s TYR 24 CO 0.11 -0.03 1.64 -1.25 0.64 0.00 0.00 175.55 176.67 1yop s PRO 25 N 0.30 2.89 0.32 4.97 0.04 -1.26 -0.75 135.00 141.51 1yop s PRO 25 Ca -0.02 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 1yop s PRO 25 Cb -0.04 -4.29 -0.10 0.00 0.04 0.00 0.00 34.50 30.11 1yop s PRO 25 CO -0.01 -2.44 1.25 0.00 0.04 0.00 0.00 177.00 175.84 1yop h PRO 27 N 3.43 0.00 -0.13 0.00 0.11 -1.94 0.75 132.00 134.22 1yop h PRO 27 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1yop h PRO 27 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1yop h PRO 27 CO 0.66 0.00 0.10 0.00 -0.21 0.00 0.00 178.00 178.55 1yop n GLY 29 N -1.52 1.38 0.00 0.00 0.00 0.25 -5.04 105.19 100.26 1yop n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.76 -3.70 1.61 2.03 -1.20 -4.97 116.55 112.09 1yop n ASP 30 Ca 0.00 -0.52 -0.23 0.00 0.52 0.00 0.00 54.79 54.56 1yop n ASP 30 Cb 0.00 0.00 -0.18 0.00 -0.72 0.00 0.00 41.12 40.22 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 -0.56 0.26 0.58 -0.67 3.52 -1.26 -0.44 118.95 120.38 1yop s ARG 31 Ca 0.00 0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.54 1yop s ARG 31 Cb 0.00 -1.08 -0.04 0.00 -1.56 0.00 0.00 34.95 32.27 1yop s ARG 31 CO 0.00 -0.41 1.11 0.12 -0.81 0.00 0.00 175.30 175.30 1yop s PHE 32 N 2.06 2.71 -0.02 5.12 5.36 0.07 -4.80 117.98 128.49 1yop s PHE 32 Ca 0.04 1.55 0.05 0.00 -0.96 0.00 0.00 56.93 57.61 1yop s PHE 32 Cb -0.13 -3.21 -0.01 0.00 -0.34 0.00 0.00 43.02 39.33 1yop s PHE 32 CO -0.05 -1.50 -0.18 1.14 -1.46 0.00 0.00 175.22 173.17 1yop s GLN 33 N -3.60 1.47 -0.05 10.12 -2.07 -1.26 -2.49 119.66 121.77 1yop s GLN 33 Ca 0.70 -0.63 -0.23 0.00 -1.82 0.00 0.00 55.36 53.37 1yop s GLN 33 Cb -0.21 -1.41 0.05 0.00 -1.09 0.00 0.00 33.01 30.35 1yop s GLN 33 CO 0.32 0.37 0.51 -1.50 -1.32 0.00 0.00 175.29 173.67 1yop s ILE 34 N -0.38 0.02 0.17 3.63 2.07 -1.15 -5.04 121.20 120.52 1yop s ILE 34 Ca 0.06 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 1yop s ILE 34 Cb -0.07 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1yop s ILE 34 CO -0.00 -0.11 0.28 -0.31 -1.91 0.00 0.00 174.94 172.88 1yop s TYR 35 N -1.09 3.44 0.12 3.50 2.02 -1.26 -2.15 117.35 121.94 1yop s TYR 35 Ca -0.11 0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.49 1yop s TYR 35 Cb -0.03 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1yop s TYR 35 CO 0.07 0.51 1.72 -0.07 -1.57 0.00 0.00 175.55 176.20 1yop h LEU 36 N 2.01 0.35 -1.33 -1.29 -0.00 -1.81 -2.57 115.31 110.67 1yop h LEU 36 Ca -0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.30 1yop h LEU 36 Cb 1.20 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 1yop h LEU 36 CO 0.67 0.34 0.42 -0.78 -0.00 0.00 0.00 178.44 179.09 1yop h ASP 37 N 0.34 0.76 -0.48 -0.43 1.82 -1.94 -2.34 116.42 114.15 1yop h ASP 37 Ca 0.10 -0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1yop h ASP 37 Cb 0.07 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.85 1yop h ASP 37 CO -0.02 0.56 0.23 0.44 -1.61 0.00 0.00 179.24 178.85 1yop h ASP 38 N 0.89 0.32 0.35 2.28 5.19 -1.87 -1.32 116.42 122.25 1yop h ASP 38 Ca 0.24 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.62 1yop h ASP 38 Cb -0.08 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1yop h ASP 38 CO -0.05 0.23 -0.27 0.24 -3.12 0.00 0.00 179.24 176.26 1yop h MET 39 N 0.46 0.00 -0.53 3.56 2.86 -1.20 -2.99 114.93 117.09 1yop h MET 39 Ca 0.21 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1yop h MET 39 Cb 0.13 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1yop h MET 39 CO -0.16 0.27 0.25 0.35 1.06 0.00 0.00 176.91 178.69 1yop h PHE 40 N 0.00 0.45 -0.26 -0.22 3.57 -0.80 -1.19 116.94 118.49 1yop h PHE 40 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1yop h PHE 40 Cb 0.52 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1yop h PHE 40 CO 0.00 0.20 0.17 0.93 -2.23 0.00 0.00 178.31 177.38 1yop h GLU 41 N 0.48 0.33 0.00 1.11 5.08 -1.43 -3.45 114.58 116.70 1yop h GLU 41 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1yop h GLU 41 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1yop h GLU 41 CO -0.19 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1yop n GLY 42 N -1.50 0.41 3.52 -3.84 0.00 -0.47 -5.09 105.19 98.23 1yop n GLY 42 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.47 -0.14 1.61 2.56 -1.12 -4.71 118.70 120.37 1yop s GLU 43 Ca 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 54.97 53.96 1yop s GLU 43 Cb 0.00 -4.91 -0.15 0.00 2.00 0.00 0.00 34.13 31.07 1yop s GLU 43 CO 0.00 -2.04 -0.00 0.36 -0.56 0.00 0.00 175.26 173.01 1yop n LYS 44 N 8.24 1.54 -4.03 4.30 2.85 -1.26 -4.79 118.16 125.01 1yop n LYS 44 Ca 0.21 0.02 -0.31 0.00 -1.05 0.00 0.00 58.31 57.18 1yop n LYS 44 Cb 0.50 -1.33 -0.15 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.31 2.00 0.44 0.58 0.11 -1.26 0.83 120.40 120.79 1yop s VAL 45 Ca -0.10 -1.59 0.07 0.00 -2.93 0.00 0.00 61.98 57.42 1yop s VAL 45 Cb 0.04 -2.19 -0.02 0.00 -1.53 0.00 0.00 36.38 32.69 1yop s VAL 45 CO 0.49 -0.11 0.32 0.00 -3.33 0.00 0.00 175.10 172.48 1yop s ALA 46 N 1.16 3.99 -0.12 1.54 0.00 -0.98 -4.98 121.76 122.38 1yop s ALA 46 Ca -0.06 -1.83 -0.00 0.00 0.00 0.00 0.00 51.96 50.07 1yop s ALA 46 Cb -0.20 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.19 1yop s ALA 46 CO -0.06 -0.26 -0.08 0.08 0.00 0.00 0.00 175.76 175.44 1yop s VAL 47 N -2.58 1.10 -0.19 0.00 1.01 -1.26 -2.57 120.40 115.90 1yop s VAL 47 Ca 0.43 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1yop s VAL 47 Cb -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1yop s VAL 47 CO 0.25 0.35 2.05 0.00 0.00 0.00 0.00 175.10 177.75 1yop h PRO 49 N 13.56 0.00 0.07 0.00 0.11 -1.95 1.05 132.00 144.84 1yop h PRO 49 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1yop h PRO 49 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yop h PRO 49 CO 0.97 0.00 -0.03 1.03 -0.21 0.00 0.00 178.00 179.76 1yop h SER 50 N 0.00 -0.08 0.76 -2.05 0.87 -1.95 -3.39 113.55 107.71 1yop h SER 50 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yop h SER 50 Cb 0.01 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1yop h SER 50 CO 0.00 0.15 -1.19 0.00 -0.53 0.00 0.00 176.83 175.26 1yop n SER 52 N -2.54 -3.26 -4.89 0.00 2.88 0.36 -5.03 113.62 101.13 1yop n SER 52 Ca -0.01 -0.12 -0.32 0.00 -1.33 0.00 0.00 58.87 57.09 1yop n SER 52 Cb 0.54 -2.09 -0.05 0.00 -0.75 0.00 0.00 64.21 61.87 1yop n SER 52 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yop s LEU 53 N -2.83 4.26 -0.13 2.46 0.20 -1.24 -4.83 118.68 116.56 1yop s LEU 53 Ca 0.13 0.64 -0.17 0.00 0.69 0.00 0.00 54.13 55.42 1yop s LEU 53 Cb -0.06 -3.32 -0.04 0.00 -0.43 0.00 0.00 46.19 42.34 1yop s LEU 53 CO 0.16 0.05 0.42 -0.04 -0.29 0.00 0.00 176.35 176.66 1yop s MET 54 N -2.60 4.31 0.04 1.98 -1.94 -1.26 -2.32 119.30 117.50 1yop s MET 54 Ca 0.41 0.34 0.01 0.00 -1.71 0.00 0.00 55.69 54.74 1yop s MET 54 Cb -0.12 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1yop s MET 54 CO 0.24 0.17 -0.05 0.96 -0.01 0.00 0.00 175.02 176.32 1yop s ILE 55 N 0.62 0.36 -0.37 2.53 -5.25 -1.06 -2.95 121.20 115.08 1yop s ILE 55 Ca 0.23 -1.21 -0.07 0.00 -0.99 0.00 0.00 60.65 58.61 1yop s ILE 55 Cb -0.14 -0.72 0.06 0.00 2.95 0.00 0.00 42.46 44.60 1yop s ILE 55 CO 0.08 -0.56 0.17 -1.81 -1.79 0.00 0.00 174.94 171.02 1yop s ASP 56 N -1.88 5.43 -0.23 4.36 1.11 -0.76 -2.31 116.67 122.38 1yop s ASP 56 Ca -0.07 -1.32 -0.11 0.00 0.18 0.00 0.00 52.55 51.23 1yop s ASP 56 Cb -0.06 -1.91 -0.05 0.00 1.07 0.00 0.00 42.92 41.97 1yop s ASP 56 CO -0.02 -0.41 0.18 0.54 1.18 0.00 0.00 175.17 176.64 1yop s VAL 57 N 1.40 5.35 0.04 -1.27 0.11 0.24 -2.59 120.40 123.68 1yop s VAL 57 Ca 0.01 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 1yop s VAL 57 Cb -0.21 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 1yop s VAL 57 CO 0.02 0.35 0.40 0.54 -3.33 0.00 0.00 175.10 173.08 1yop s VAL 58 N 1.00 5.06 0.03 2.04 0.11 -0.50 -4.42 120.40 123.72 1yop s VAL 58 Ca 0.09 0.64 0.04 0.00 -2.93 0.00 0.00 61.98 59.82 1yop s VAL 58 Cb -0.13 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 1yop s VAL 58 CO 0.04 0.43 -0.13 0.72 -3.33 0.00 0.00 175.10 172.83 1yop s PHE 59 N -1.25 1.10 -0.13 1.54 -0.71 -1.26 -1.34 117.98 115.94 1yop s PHE 59 Ca 0.29 -0.31 0.20 0.00 -1.04 0.00 0.00 56.93 56.07 1yop s PHE 59 Cb -0.15 -0.67 -0.19 0.00 -1.21 0.00 0.00 43.02 40.80 1yop s PHE 59 CO 0.16 0.01 0.65 -0.40 -1.34 0.00 0.00 175.22 174.30 1yop n ASP 60 N 2.13 0.42 -1.56 1.98 5.68 -1.26 -4.99 116.55 118.96 1yop n ASP 60 Ca -0.17 0.17 -0.15 0.00 -0.50 0.00 0.00 54.79 54.14 1yop n ASP 60 Cb 0.55 1.04 -0.02 0.00 -1.14 0.00 0.00 41.12 41.55 1yop n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1yop n LYS 61 N -2.58 -1.15 -0.12 0.11 5.02 -1.26 -4.91 118.16 113.27 1yop n LYS 61 Ca -0.08 0.80 -0.26 0.00 -2.02 0.00 0.00 58.31 56.75 1yop n LYS 61 Cb 0.71 -5.08 -0.11 0.00 -0.02 0.00 0.00 35.03 30.53 1yop n LYS 61 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1yop n GLU 62 N -2.47 0.58 0.04 1.97 2.13 -1.26 -4.39 120.64 117.24 1yop n GLU 62 Ca -0.17 0.40 -0.02 0.00 0.66 0.00 0.00 57.16 58.03 1yop n GLU 62 Cb 0.60 -1.61 0.25 0.00 0.27 0.00 0.00 31.44 30.96 1yop n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1yop h ASP 63 N -0.96 0.40 -0.85 4.31 5.19 -1.98 -2.75 116.42 119.78 1yop h ASP 63 Ca -0.55 -0.12 0.18 0.00 -0.62 0.00 0.00 57.03 55.93 1yop h ASP 63 Cb 1.50 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.84 1yop h ASP 63 CO -0.32 0.63 0.56 0.25 -3.12 0.00 0.00 179.24 177.24 1yop h LEU 64 N 0.37 0.40 0.02 1.55 6.46 -1.97 0.76 115.31 122.89 1yop h LEU 64 Ca 0.06 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.68 1yop h LEU 64 Cb 0.59 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1yop h LEU 64 CO 0.04 0.18 -0.95 0.00 -0.62 0.00 0.00 178.44 177.09 1yop h ALA 65 N 1.62 0.18 0.30 1.25 0.00 -1.72 -3.18 119.26 117.71 1yop h ALA 65 Ca 0.43 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1yop h ALA 65 Cb 1.06 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1yop h ALA 65 CO -0.15 0.54 -0.14 0.93 0.00 0.00 0.00 179.25 180.42 1yop h GLU 66 N -0.86 -0.39 -0.01 0.00 5.08 -1.19 -2.91 114.58 114.29 1yop h GLU 66 Ca -0.25 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1yop h GLU 66 Cb 1.31 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1yop h GLU 66 CO -0.10 -0.09 0.02 -0.92 -1.00 0.00 0.00 179.01 176.92 1yop h TYR 67 N -0.70 0.00 0.29 4.33 5.03 0.31 -1.04 116.97 125.20 1yop h TYR 67 Ca -0.04 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 1yop h TYR 67 Cb 0.48 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.74 1yop h TYR 67 CO 0.01 0.00 -0.26 -0.92 -1.32 0.00 0.00 178.16 175.67 1yop h TYR 68 N 0.00 -0.70 0.14 -3.82 3.20 -1.49 0.41 116.97 114.71 1yop h TYR 68 Ca 0.01 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.60 1yop h TYR 68 Cb 0.05 0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.59 1yop h TYR 68 CO 0.00 -0.39 -1.27 0.93 -1.64 0.00 0.00 178.16 175.79 1yop h GLU 69 N -0.58 0.31 -0.60 1.82 5.08 -1.54 -3.30 114.58 115.77 1yop h GLU 69 Ca -0.01 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1yop h GLU 69 Cb 0.52 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1yop h GLU 69 CO -0.04 1.25 0.23 0.93 -1.00 0.00 0.00 179.01 180.38 1yop h GLU 70 N 0.08 0.89 -6.57 2.33 5.08 -1.12 -3.43 114.58 111.83 1yop h GLU 70 Ca -0.15 -0.15 -0.50 0.00 -1.00 0.00 0.00 59.36 57.56 1yop h GLU 70 Cb 2.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1yop h GLU 70 CO 0.21 0.74 -0.11 0.00 -1.00 0.00 0.00 179.01 178.85 1yop s ALA 71 N -5.38 3.60 -0.59 3.43 0.00 0.14 -5.02 121.76 117.94 1yop s ALA 71 Ca -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1yop s ALA 71 Cb 0.16 -2.31 0.41 0.00 0.00 0.00 0.00 23.12 21.37 1yop s ALA 71 CO 0.80 0.09 1.55 0.41 0.00 0.00 0.00 175.76 178.60 1yop n GLY 72 N -1.33 5.89 0.15 0.00 0.00 -1.26 -4.71 105.19 103.92 1yop n GLY 72 Ca -0.02 -2.60 0.01 0.00 0.00 0.00 0.00 46.02 43.41 1yop n GLY 72 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1yop h ILE 73 N 2.13 1.24 0.68 -0.61 -0.00 -1.87 -3.31 117.51 115.78 1yop h ILE 73 Ca 0.44 -1.95 -0.03 0.00 -0.00 0.00 0.00 64.86 63.33 1yop h ILE 73 Cb 0.69 2.09 -0.01 0.00 -0.00 0.00 0.00 36.82 39.60 1yop h ILE 73 CO 1.13 0.53 -0.49 0.45 -0.00 0.00 0.00 178.15 179.77 1yop h HIS 74 N 0.00 -1.33 -2.96 0.16 3.86 -1.91 -3.39 115.15 109.57 1yop h HIS 74 Ca -0.01 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.63 1yop h HIS 74 Cb 1.05 0.49 -0.04 0.00 1.06 0.00 0.00 27.41 29.97 1yop h HIS 74 CO 0.00 -0.70 1.16 -1.25 0.86 0.00 0.00 177.93 178.00 1yop s PRO 75 N -5.82 3.43 0.01 2.45 0.04 -1.25 -4.94 135.00 128.92 1yop s PRO 75 Ca -0.18 1.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.89 1yop s PRO 75 Cb 0.03 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 1yop s PRO 75 CO 0.58 -1.75 1.02 -1.00 0.04 0.00 0.00 177.00 175.89 1yop h PRO 76 N 11.75 -0.21 -1.06 0.56 0.13 -1.86 -3.49 132.00 137.82 1yop h PRO 76 Ca -0.30 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.14 1yop h PRO 76 Cb 1.13 0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 1yop h PRO 76 CO 1.08 -0.14 0.97 -1.83 -0.23 0.00 0.00 178.00 177.85 1yop s GLU 77 N -3.33 0.04 -0.88 0.86 -1.05 -1.26 -5.08 118.70 108.00 1yop s GLU 77 Ca -0.03 -0.01 -0.24 0.00 -0.15 0.00 0.00 54.97 54.54 1yop s GLU 77 Cb 0.00 0.02 -0.19 0.00 -0.44 0.00 0.00 34.13 33.53 1yop s GLU 77 CO 0.09 -0.02 2.20 -2.30 0.95 0.00 0.00 175.26 176.19 1yop n PRO 78 N 0.20 0.30 -3.91 -4.83 -0.02 -1.26 -4.86 135.00 120.61 1yop n PRO 78 Ca 0.03 -1.10 -0.22 0.00 -2.02 0.00 0.00 63.50 60.19 1yop n PRO 78 Cb 0.57 -3.49 -0.17 0.00 -0.02 0.00 0.00 33.50 30.39 1yop n PRO 78 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1yop s ILE 79 N 14.24 0.45 -0.00 4.25 -1.09 -1.26 -5.01 121.20 132.77 1yop s ILE 79 Ca 0.86 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1yop s ILE 79 Cb -0.14 -0.55 -0.00 0.00 -1.58 0.00 0.00 42.46 40.19 1yop s ILE 79 CO 0.15 0.25 -0.00 0.00 -1.23 0.00 0.00 174.94 174.11 1yop n ALA 80 N 4.73 2.25 0.20 9.38 0.00 -1.26 -4.82 120.51 130.99 1yop n ALA 80 Ca -0.14 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1yop n ALA 80 Cb 0.50 0.49 -0.08 0.00 0.00 0.00 0.00 19.45 20.37 1yop n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop h ALA 81 N -0.00 -0.45 -1.55 0.00 0.00 -2.02 -3.38 119.26 111.85 1yop h ALA 81 Ca -0.01 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.28 1yop h ALA 81 Cb 1.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1yop h ALA 81 CO -0.00 -0.73 1.37 0.00 0.00 0.00 0.00 179.25 179.89 1yop s ALA 82 N -5.97 2.21 -2.57 0.00 0.00 -1.26 -5.35 121.76 108.81 1yop s ALA 82 Ca -0.15 -0.46 0.27 0.00 0.00 0.00 0.00 51.96 51.62 1yop s ALA 82 Cb 0.04 -4.27 0.93 0.00 0.00 0.00 0.00 23.12 19.82 1yop s ALA 82 CO 0.63 -3.79 1.68 0.00 0.00 0.00 0.00 175.76 174.28