#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 0.85 -4.49 2.03 0.24 -1.26 -5.08 118.33 110.61 1yop n VAL 2 Ca 0.00 -1.83 -0.25 0.00 -2.04 0.00 0.00 64.34 60.22 1yop n VAL 2 Cb 0.00 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 1yop n VAL 2 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1yop n SER 3 N -0.14 1.26 -4.82 -1.34 3.41 -1.26 -5.14 113.62 105.58 1yop n SER 3 Ca 0.11 -3.13 -0.30 0.00 -0.26 0.00 0.00 58.87 55.29 1yop n SER 3 Cb 0.96 1.00 0.09 0.00 -0.26 0.00 0.00 64.21 66.00 1yop n SER 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1yop s THR 4 N -3.05 2.98 -0.18 6.66 -4.23 -1.26 -4.75 115.64 111.81 1yop s THR 4 Ca 0.20 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1yop s THR 4 Cb 0.01 -3.12 -0.12 0.00 1.34 0.00 0.00 72.50 70.61 1yop s THR 4 CO 0.14 -0.42 -0.15 -1.22 -0.54 0.00 0.00 174.62 172.43 1yop n TYR 5 N -3.39 0.00 -3.85 3.99 4.02 -1.14 -5.04 117.16 111.75 1yop n TYR 5 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 1yop n TYR 5 Cb 0.57 -0.71 0.01 0.00 -0.02 0.00 0.00 39.34 39.19 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 -5.73 0.04 0.13 7.72 2.15 -1.26 -5.12 116.67 114.60 1yop s ASP 6 Ca -0.24 -1.08 0.09 0.00 0.43 0.00 0.00 52.55 51.76 1yop s ASP 6 Cb 0.06 0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 43.45 1yop s ASP 6 CO 0.43 -1.58 -0.22 -1.83 -0.17 0.00 0.00 175.17 171.80 1yop s GLU 7 N -2.71 1.27 0.05 4.34 -1.05 -1.26 -3.00 118.70 116.33 1yop s GLU 7 Ca 0.16 -1.30 0.04 0.00 -0.15 0.00 0.00 54.97 53.72 1yop s GLU 7 Cb -0.05 -1.57 -0.03 0.00 -0.44 0.00 0.00 34.13 32.05 1yop s GLU 7 CO 0.11 0.36 -0.11 0.42 0.95 0.00 0.00 175.26 176.99 1yop s ILE 8 N -1.34 0.84 0.28 1.83 1.01 -1.17 -4.99 121.20 117.65 1yop s ILE 8 Ca 0.12 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1yop s ILE 8 Cb -0.09 -0.84 -0.08 0.00 0.01 0.00 0.00 42.46 41.46 1yop s ILE 8 CO 0.06 -0.28 0.64 -1.61 0.00 0.00 0.00 174.94 173.74 1yop s GLU 9 N -1.60 3.87 0.40 2.79 2.02 -1.26 -0.70 118.70 124.21 1yop s GLU 9 Ca -0.05 0.43 0.10 0.00 0.02 0.00 0.00 54.97 55.47 1yop s GLU 9 Cb -0.10 -2.54 0.90 0.00 0.10 0.00 0.00 34.13 32.49 1yop s GLU 9 CO 0.01 0.23 1.97 0.97 0.02 0.00 0.00 175.26 178.46 1yop h ILE 10 N 1.90 0.95 -0.16 -1.63 2.10 -1.59 -2.10 117.51 116.97 1yop h ILE 10 Ca -0.47 -0.19 -0.11 0.00 1.08 0.00 0.00 64.86 65.16 1yop h ILE 10 Cb 1.17 0.34 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1yop h ILE 10 CO 0.67 0.10 -0.34 1.05 -1.08 0.00 0.00 178.15 178.55 1yop h GLU 11 N 0.56 0.52 -0.23 2.19 4.11 -1.94 -3.12 114.58 116.68 1yop h GLU 11 Ca 0.29 -0.34 0.07 0.00 0.07 0.00 0.00 59.36 59.45 1yop h GLU 11 Cb 0.41 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1yop h GLU 11 CO -0.09 0.95 0.40 0.22 0.07 0.00 0.00 179.01 180.55 1yop h ASP 12 N 0.15 0.00 -3.30 3.06 3.58 -1.77 -3.40 116.42 114.73 1yop h ASP 12 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.89 1yop h ASP 12 Cb 0.94 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.95 1yop h ASP 12 CO 0.08 0.00 0.00 -0.32 -2.88 0.00 0.00 179.24 176.12 1yop s MET 13 N -4.39 4.30 0.52 0.28 1.75 -1.16 -5.00 119.30 115.59 1yop s MET 13 Ca -0.04 0.79 -0.23 0.00 -1.25 0.00 0.00 55.69 54.96 1yop s MET 13 Cb 0.12 -3.29 -0.06 0.00 2.84 0.00 0.00 34.83 34.44 1yop s MET 13 CO 0.42 0.50 1.38 0.99 -0.65 0.00 0.00 175.02 177.66 1yop s THR 14 N -0.66 2.07 -0.02 10.11 2.01 -0.85 -4.87 115.64 123.43 1yop s THR 14 Ca 0.31 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 1yop s THR 14 Cb -0.19 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1yop s THR 14 CO 0.19 0.00 0.06 0.72 -0.69 0.00 0.00 174.62 174.91 1yop s PHE 15 N -1.27 3.26 -0.38 4.92 -0.12 -1.26 -1.86 117.98 121.26 1yop s PHE 15 Ca 0.68 0.21 0.01 0.00 -0.05 0.00 0.00 56.93 57.78 1yop s PHE 15 Cb -0.41 -1.75 0.12 0.00 -0.63 0.00 0.00 43.02 40.35 1yop s PHE 15 CO 0.50 0.54 0.18 -1.21 -0.05 0.00 0.00 175.22 175.18 1yop s GLU 16 N -1.56 1.06 0.40 1.99 8.01 0.15 -4.90 118.70 123.85 1yop s GLU 16 Ca 0.21 -1.64 0.29 0.00 0.01 0.00 0.00 54.97 53.84 1yop s GLU 16 Cb -0.12 -2.20 1.27 0.00 -4.31 0.00 0.00 34.13 28.77 1yop s GLU 16 CO 0.11 -1.09 1.86 -1.00 0.01 0.00 0.00 175.26 175.15 1yop h PRO 17 N 7.26 0.00 -0.97 0.39 0.13 -1.96 -0.30 132.00 136.55 1yop h PRO 17 Ca -0.05 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.21 1yop h PRO 17 Cb 0.96 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 1yop h PRO 17 CO 0.47 0.00 0.61 1.05 -0.23 0.00 0.00 178.00 179.90 1yop h GLU 18 N 0.00 0.87 0.00 0.86 4.11 -1.95 -3.29 114.58 115.19 1yop h GLU 18 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1yop h GLU 18 Cb 0.35 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1yop h GLU 18 CO 0.00 0.58 -0.38 0.09 0.07 0.00 0.00 179.01 179.36 1yop n ASN 19 N -4.61 0.00 -3.01 3.06 4.13 -1.19 -5.07 115.26 108.58 1yop n ASN 19 Ca 0.19 -1.77 -0.14 0.00 1.68 0.00 0.00 54.58 54.54 1yop n ASN 19 Cb 0.40 -0.15 0.02 0.00 -1.54 0.00 0.00 39.78 38.50 1yop n ASN 19 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yop n GLN 20 N 0.00 -2.23 -3.59 3.52 3.00 -0.19 -4.93 117.38 112.95 1yop n GLN 20 Ca -0.00 1.93 -0.10 0.00 -0.01 0.00 0.00 57.00 58.82 1yop n GLN 20 Cb 0.65 -4.90 -0.02 0.00 0.00 0.00 0.00 30.24 25.97 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yop s MET 21 N -2.63 1.45 -0.17 -1.09 0.23 -0.80 -3.29 119.30 113.01 1yop s MET 21 Ca 0.26 -0.68 0.01 0.00 -1.03 0.00 0.00 55.69 54.25 1yop s MET 21 Cb -0.06 0.59 0.03 0.00 -1.53 0.00 0.00 34.83 33.86 1yop s MET 21 CO 0.79 -0.65 -0.14 -0.06 -2.03 0.00 0.00 175.02 172.93 1yop s PHE 22 N -3.82 2.35 0.11 3.16 0.08 -0.08 0.31 117.98 120.09 1yop s PHE 22 Ca 0.05 -1.39 0.04 0.00 0.12 0.00 0.00 56.93 55.75 1yop s PHE 22 Cb -0.03 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1yop s PHE 22 CO -0.06 -0.71 0.10 0.95 -0.10 0.00 0.00 175.22 175.41 1yop s THR 23 N 1.43 4.53 -0.26 0.64 -4.23 -0.78 -2.05 115.64 114.91 1yop s THR 23 Ca 0.04 -0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1yop s THR 23 Cb -0.14 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.54 1yop s THR 23 CO -0.11 0.03 0.68 -0.47 -0.54 0.00 0.00 174.62 174.21 1yop s TYR 24 N -1.54 -0.85 -0.37 3.99 6.14 -0.32 -2.00 117.35 122.40 1yop s TYR 24 Ca 0.30 1.92 -0.29 0.00 0.64 0.00 0.00 57.07 59.65 1yop s TYR 24 Cb -0.11 0.38 -0.00 0.00 0.42 0.00 0.00 41.96 42.65 1yop s TYR 24 CO 0.23 -0.42 1.56 -1.25 0.64 0.00 0.00 175.55 176.31 1yop s PRO 25 N 0.81 3.51 0.26 4.97 0.04 -1.26 0.48 135.00 143.81 1yop s PRO 25 Ca -0.04 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1yop s PRO 25 Cb -0.05 -4.08 -0.09 0.00 0.04 0.00 0.00 34.50 30.31 1yop s PRO 25 CO -0.06 -1.64 1.01 0.00 0.04 0.00 0.00 177.00 176.34 1yop h PRO 27 N 3.98 0.00 0.00 0.00 0.11 -1.94 0.16 132.00 134.31 1yop h PRO 27 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1yop h PRO 27 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1yop h PRO 27 CO 0.67 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.37 1yop n GLY 29 N -1.25 1.65 0.63 0.00 0.00 0.55 -5.05 105.19 101.72 1yop n GLY 29 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 2.23 -4.54 1.61 2.03 -1.23 -4.96 116.55 111.70 1yop n ASP 30 Ca 0.00 -1.38 -0.34 0.00 0.52 0.00 0.00 54.79 53.59 1yop n ASP 30 Cb 0.00 0.06 -0.12 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.32 3.54 -0.51 -0.67 3.52 -1.26 -1.38 118.95 119.87 1yop s ARG 31 Ca 0.00 -0.50 -0.15 0.00 -0.13 0.00 0.00 55.73 54.95 1yop s ARG 31 Cb 0.00 -2.89 0.11 0.00 -1.56 0.00 0.00 34.95 30.60 1yop s ARG 31 CO 0.00 0.33 0.45 0.12 -0.81 0.00 0.00 175.30 175.39 1yop s PHE 32 N 0.12 3.26 0.14 5.12 2.19 0.18 -4.80 117.98 124.19 1yop s PHE 32 Ca -0.00 -1.18 0.03 0.00 0.33 0.00 0.00 56.93 56.11 1yop s PHE 32 Cb -0.13 -3.52 -0.04 0.00 -1.31 0.00 0.00 43.02 38.02 1yop s PHE 32 CO 0.03 -0.93 0.24 -0.65 1.83 0.00 0.00 175.22 175.74 1yop s GLN 33 N 1.60 3.30 -0.29 10.12 -0.21 -1.26 -1.18 119.66 131.75 1yop s GLN 33 Ca 0.03 -0.65 -0.13 0.00 0.02 0.00 0.00 55.36 54.64 1yop s GLN 33 Cb -0.27 -2.89 0.12 0.00 1.00 0.00 0.00 33.01 30.96 1yop s GLN 33 CO 0.04 0.52 0.73 -1.50 -2.12 0.00 0.00 175.29 172.96 1yop s ILE 34 N -1.72 -0.59 0.37 1.08 2.07 -0.87 -4.96 121.20 116.59 1yop s ILE 34 Ca 0.34 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.33 1yop s ILE 34 Cb -0.11 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.39 1yop s ILE 34 CO 0.27 0.00 1.03 -0.47 -1.91 0.00 0.00 174.94 173.86 1yop s TYR 35 N 2.38 3.38 0.22 3.50 5.04 -1.26 -0.90 117.35 129.70 1yop s TYR 35 Ca -0.07 1.68 -0.09 0.00 -2.44 0.00 0.00 57.07 56.15 1yop s TYR 35 Cb -0.09 -3.10 0.22 0.00 0.35 0.00 0.00 41.96 39.34 1yop s TYR 35 CO -0.19 -0.45 1.85 -0.07 -1.34 0.00 0.00 175.55 175.35 1yop h LEU 36 N 2.75 0.77 -1.21 6.97 4.07 -1.91 -1.77 115.31 124.98 1yop h LEU 36 Ca -0.48 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1yop h LEU 36 Cb 1.21 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.74 1yop h LEU 36 CO 0.63 0.53 0.50 -0.78 -1.08 0.00 0.00 178.44 178.25 1yop h ASP 37 N 0.92 0.90 0.08 -0.43 1.82 -1.93 0.28 116.42 118.06 1yop h ASP 37 Ca 0.30 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1yop h ASP 37 Cb 0.03 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.79 1yop h ASP 37 CO -0.12 0.66 -0.12 -0.78 -1.61 0.00 0.00 179.24 177.28 1yop h ASP 38 N 1.06 -0.33 -0.22 2.28 1.82 -1.71 0.14 116.42 119.46 1yop h ASP 38 Ca 0.28 0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.85 1yop h ASP 38 Cb -0.10 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 1yop h ASP 38 CO -0.06 -0.18 -0.23 0.24 -1.61 0.00 0.00 179.24 177.40 1yop h MET 39 N -0.25 0.68 -0.59 0.28 2.86 -1.23 -3.05 114.93 113.64 1yop h MET 39 Ca 0.02 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1yop h MET 39 Cb 0.26 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1yop h MET 39 CO -0.06 0.85 0.21 0.35 1.06 0.00 0.00 176.91 179.32 1yop h PHE 40 N 0.60 0.92 -0.76 -0.22 3.57 -0.60 -2.61 116.94 117.84 1yop h PHE 40 Ca 0.08 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1yop h PHE 40 Cb 0.71 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1yop h PHE 40 CO 0.03 0.75 0.50 1.49 -2.23 0.00 0.00 178.31 178.85 1yop h GLU 41 N 0.82 0.57 0.00 1.11 4.57 -0.62 -3.44 114.58 117.59 1yop h GLU 41 Ca 0.19 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1yop h GLU 41 Cb 0.24 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1yop h GLU 41 CO -0.01 0.38 0.00 0.41 -1.18 0.00 0.00 179.01 178.60 1yop n GLY 42 N -1.48 -0.13 3.83 1.92 0.00 -1.01 -5.12 105.19 103.20 1yop n GLY 42 Ca 0.13 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 3.07 0.00 1.61 -6.30 -1.03 -4.99 118.70 111.06 1yop s GLU 43 Ca 0.00 -0.63 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 1yop s GLU 43 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 34.13 31.31 1yop s GLU 43 CO 0.00 0.57 0.00 1.63 0.02 0.00 0.00 175.26 177.48 1yop n LYS 44 N 0.29 0.00 -3.58 4.30 5.02 -1.26 -4.82 118.16 118.11 1yop n LYS 44 Ca -0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1yop n LYS 44 Cb 0.52 -0.08 -0.09 0.00 -0.02 0.00 0.00 35.03 35.36 1yop n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yop s VAL 45 N -1.75 4.11 0.25 -0.18 1.01 -1.26 -0.67 120.40 121.91 1yop s VAL 45 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.02 1yop s VAL 45 Cb 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1yop s VAL 45 CO 0.00 -0.77 0.64 0.00 0.00 0.00 0.00 175.10 174.98 1yop s ALA 46 N 1.33 3.45 -0.13 5.51 0.00 -1.02 -4.92 121.76 125.99 1yop s ALA 46 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1yop s ALA 46 Cb -0.26 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1yop s ALA 46 CO -0.01 0.41 -0.14 0.08 0.00 0.00 0.00 175.76 176.10 1yop s VAL 47 N -1.79 3.00 0.25 0.00 1.01 -1.26 -3.43 120.40 118.18 1yop s VAL 47 Ca 0.48 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1yop s VAL 47 Cb -0.12 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1yop s VAL 47 CO 0.19 0.53 1.30 0.00 0.00 0.00 0.00 175.10 177.12 1yop n PRO 49 N 1.97 1.67 0.09 0.00 -0.04 -1.26 -1.75 135.00 135.68 1yop n PRO 49 Ca 0.04 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1yop n PRO 49 Cb 0.42 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1yop n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yop n SER 50 N 0.10 0.57 -0.01 3.54 2.88 -1.26 -4.90 113.62 114.54 1yop n SER 50 Ca 0.05 0.28 0.10 0.00 -1.33 0.00 0.00 58.87 57.97 1yop n SER 50 Cb 0.40 -0.03 -0.16 0.00 -0.75 0.00 0.00 64.21 63.67 1yop n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yop n SER 52 N -2.18 -3.26 -4.75 0.00 2.88 -0.72 -4.98 113.62 100.61 1yop n SER 52 Ca -0.03 -0.12 -0.33 0.00 -1.33 0.00 0.00 58.87 57.05 1yop n SER 52 Cb 0.53 -2.09 0.07 0.00 -0.75 0.00 0.00 64.21 61.96 1yop n SER 52 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1yop s LEU 53 N -2.83 3.31 -0.28 2.46 2.01 -1.26 -4.65 118.68 117.44 1yop s LEU 53 Ca 0.13 2.07 -0.04 0.00 0.01 0.00 0.00 54.13 56.30 1yop s LEU 53 Cb -0.06 -4.56 0.02 0.00 0.01 0.00 0.00 46.19 41.61 1yop s LEU 53 CO 0.16 -1.89 0.01 -0.04 1.01 0.00 0.00 176.35 175.61 1yop s MET 54 N -4.17 2.88 0.01 1.70 -1.94 -1.26 -3.25 119.30 113.27 1yop s MET 54 Ca 0.68 -0.97 0.03 0.00 -1.71 0.00 0.00 55.69 53.72 1yop s MET 54 Cb -0.22 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.41 1yop s MET 54 CO 0.45 -0.46 -0.10 0.96 -0.01 0.00 0.00 175.02 175.85 1yop s ILE 55 N 1.39 0.80 -0.76 2.53 -5.25 -1.22 -2.89 121.20 115.80 1yop s ILE 55 Ca 0.00 -0.66 -0.13 0.00 -0.99 0.00 0.00 60.65 58.88 1yop s ILE 55 Cb -0.17 -0.71 0.20 0.00 2.95 0.00 0.00 42.46 44.72 1yop s ILE 55 CO -0.01 0.06 0.69 -1.81 -1.79 0.00 0.00 174.94 172.09 1yop s ASP 56 N -0.67 6.49 -0.10 4.36 1.01 -1.16 -2.44 116.67 124.16 1yop s ASP 56 Ca 0.01 -2.60 -0.24 0.00 0.71 0.00 0.00 52.55 50.42 1yop s ASP 56 Cb -0.06 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1yop s ASP 56 CO 0.00 -0.58 0.76 0.54 0.21 0.00 0.00 175.17 176.11 1yop s VAL 57 N 0.31 4.98 -0.07 -1.27 0.11 0.16 -3.02 120.40 121.59 1yop s VAL 57 Ca 0.16 1.54 -0.20 0.00 -2.93 0.00 0.00 61.98 60.56 1yop s VAL 57 Cb -0.14 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 1yop s VAL 57 CO -0.07 0.17 0.55 0.54 -3.33 0.00 0.00 175.10 172.96 1yop s VAL 58 N 1.28 5.08 -0.00 2.04 0.11 0.12 -4.58 120.40 124.45 1yop s VAL 58 Ca 0.39 1.12 0.04 0.00 -2.93 0.00 0.00 61.98 60.59 1yop s VAL 58 Cb -0.18 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 1yop s VAL 58 CO 0.17 0.35 -0.10 0.72 -3.33 0.00 0.00 175.10 172.91 1yop s PHE 59 N 0.35 2.81 -0.14 1.54 -0.71 -1.26 -1.35 117.98 119.23 1yop s PHE 59 Ca 0.29 -0.09 0.14 0.00 -1.04 0.00 0.00 56.93 56.24 1yop s PHE 59 Cb -0.16 -1.59 -0.21 0.00 -1.21 0.00 0.00 43.02 39.85 1yop s PHE 59 CO 0.14 0.32 0.10 -0.25 -1.34 0.00 0.00 175.22 174.19 1yop n ASP 60 N 1.71 1.10 -1.69 1.98 8.00 -1.26 -5.00 116.55 121.38 1yop n ASP 60 Ca -0.16 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.17 1yop n ASP 60 Cb 0.52 1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 42.61 1yop n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1yop n LYS 61 N -2.52 -1.29 -0.07 -1.24 4.81 -1.26 -4.88 118.16 111.72 1yop n LYS 61 Ca -0.23 0.93 -0.19 0.00 -0.87 0.00 0.00 58.31 57.96 1yop n LYS 61 Cb 0.93 -5.29 -0.13 0.00 0.02 0.00 0.00 35.03 30.56 1yop n LYS 61 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1yop n GLU 62 N -2.58 0.70 0.08 1.64 2.13 -1.26 -4.32 120.64 117.02 1yop n GLU 62 Ca -0.19 0.19 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1yop n GLU 62 Cb 0.62 -1.60 0.05 0.00 0.27 0.00 0.00 31.44 30.77 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 0.03 0.27 -0.62 4.31 5.19 -2.00 -3.26 116.42 120.34 1yop h ASP 63 Ca -0.51 -0.19 0.08 0.00 -0.62 0.00 0.00 57.03 55.80 1yop h ASP 63 Cb 1.97 -0.08 -0.07 0.00 0.18 0.00 0.00 39.33 41.34 1yop h ASP 63 CO -0.01 0.93 0.27 -0.07 -3.12 0.00 0.00 179.24 177.24 1yop h LEU 64 N 0.14 0.33 -1.15 1.55 4.07 -1.98 0.75 115.31 119.02 1yop h LEU 64 Ca -0.03 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1yop h LEU 64 Cb 1.33 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 43.04 1yop h LEU 64 CO 0.12 0.20 0.58 0.00 -1.08 0.00 0.00 178.44 178.26 1yop h ALA 65 N 1.39 1.40 0.19 1.53 0.00 -1.75 0.46 119.26 122.48 1yop h ALA 65 Ca 0.30 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 1yop h ALA 65 Cb 0.32 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yop h ALA 65 CO -0.26 0.54 -1.29 0.93 0.00 0.00 0.00 179.25 179.17 1yop h GLU 66 N 1.15 0.53 -0.36 0.00 4.39 -1.35 -3.32 114.58 115.62 1yop h GLU 66 Ca 0.33 -0.83 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 1yop h GLU 66 Cb -0.08 0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1yop h GLU 66 CO -0.08 1.39 -0.04 -0.92 -1.16 0.00 0.00 179.01 178.19 1yop h TYR 67 N 0.10 0.61 -0.63 4.33 3.20 0.72 0.13 116.97 125.43 1yop h TYR 67 Ca -0.22 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.60 1yop h TYR 67 Cb 1.99 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 40.06 1yop h TYR 67 CO 0.14 0.62 0.42 1.88 -1.64 0.00 0.00 178.16 179.57 1yop h TYR 68 N 0.55 0.76 0.12 -3.82 -1.99 -1.01 0.47 116.97 112.05 1yop h TYR 68 Ca 0.11 0.02 -0.34 0.00 2.00 0.00 0.00 58.73 60.52 1yop h TYR 68 Cb 0.41 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1yop h TYR 68 CO 0.02 0.47 -1.78 1.49 -0.00 0.00 0.00 178.16 178.36 1yop h GLU 69 N 0.81 0.25 -0.43 4.88 4.81 -1.58 -2.68 114.58 120.65 1yop h GLU 69 Ca 0.24 -0.44 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 1yop h GLU 69 Cb -0.02 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1yop h GLU 69 CO -0.06 1.11 -0.23 0.93 -0.73 0.00 0.00 179.01 180.03 1yop h GLU 70 N 0.07 0.91 0.00 1.92 5.08 -0.44 -3.38 114.58 118.73 1yop h GLU 70 Ca -0.34 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1yop h GLU 70 Cb 2.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1yop h GLU 70 CO 0.13 1.06 -0.15 0.00 -1.00 0.00 0.00 179.01 179.05 1yop h ALA 71 N 0.82 0.00 -0.85 3.43 0.00 -0.23 -3.50 119.26 118.93 1yop h ALA 71 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1yop h ALA 71 Cb 0.80 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1yop h ALA 71 CO 0.07 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1yop n GLY 72 N 1.71 0.48 3.77 0.00 0.00 -1.01 -5.06 105.19 105.08 1yop n GLY 72 Ca -0.02 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1yop n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yop s ILE 73 N -1.85 2.70 0.55 -0.61 1.10 -1.26 -5.02 121.20 116.81 1yop s ILE 73 Ca 0.00 0.59 -0.12 0.00 -0.51 0.00 0.00 60.65 60.60 1yop s ILE 73 Cb 0.00 -3.33 -0.06 0.00 0.15 0.00 0.00 42.46 39.22 1yop s ILE 73 CO 0.00 0.05 0.97 -1.00 -2.11 0.00 0.00 174.94 172.85 1yop s HIS 74 N -1.34 3.55 0.26 3.50 3.76 -1.26 -5.03 115.29 118.74 1yop s HIS 74 Ca 0.60 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 56.50 1yop s HIS 74 Cb -0.36 -2.68 -0.10 0.00 1.11 0.00 0.00 32.58 30.55 1yop s HIS 74 CO 0.45 -0.49 1.37 -1.25 -0.85 0.00 0.00 174.74 173.97 1yop s PRO 75 N -4.63 4.32 0.11 8.40 0.04 -1.26 -5.04 135.00 136.95 1yop s PRO 75 Ca 0.55 2.22 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1yop s PRO 75 Cb -0.10 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.34 1yop s PRO 75 CO 0.43 -0.31 0.12 -0.35 0.04 0.00 0.00 177.00 176.93 1yop n PRO 76 N 1.92 -0.68 -3.71 0.56 -0.04 -1.26 -5.02 135.00 126.76 1yop n PRO 76 Ca 0.04 -0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 62.95 1yop n PRO 76 Cb 0.41 -0.15 -0.09 0.00 -0.04 0.00 0.00 33.50 33.63 1yop n PRO 76 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yop s GLU 77 N -3.27 2.60 -0.64 0.54 2.02 -1.26 -5.05 118.70 113.65 1yop s GLU 77 Ca 0.07 -2.54 -0.28 0.00 0.02 0.00 0.00 54.97 52.24 1yop s GLU 77 Cb -0.00 -3.75 -0.12 0.00 0.10 0.00 0.00 34.13 30.35 1yop s GLU 77 CO 0.05 -1.18 2.49 -2.30 0.02 0.00 0.00 175.26 174.35 1yop n PRO 78 N 3.49 0.73 0.00 0.39 -0.02 -1.26 -4.45 135.00 133.87 1yop n PRO 78 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1yop n PRO 78 Cb 0.38 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1yop n PRO 78 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1yop n ILE 79 N 7.78 0.00 -4.33 4.25 -6.64 -1.26 -5.10 119.36 114.06 1yop n ILE 79 Ca 0.46 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 61.14 1yop n ILE 79 Cb 0.36 -0.16 -0.16 0.00 -1.44 0.00 0.00 39.64 38.24 1yop n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1yop s ALA 80 N -1.52 2.02 -0.00 -1.28 0.00 -1.26 -5.06 121.76 114.66 1yop s ALA 80 Ca 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1yop s ALA 80 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1yop s ALA 80 CO 0.00 -0.20 0.51 0.00 0.00 0.00 0.00 175.76 176.07 1yop h ALA 81 N 7.66 -0.51 -2.66 0.00 0.00 -1.98 -3.48 119.26 118.29 1yop h ALA 81 Ca -0.36 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1yop h ALA 81 Cb 1.16 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.76 1yop h ALA 81 CO 0.55 -0.51 -0.44 0.00 0.00 0.00 0.00 179.25 178.85 1yop s ALA 82 N -3.00 -0.38 0.00 0.00 0.00 -1.26 -5.21 121.76 111.91 1yop s ALA 82 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1yop s ALA 82 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1yop s ALA 82 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50