#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yop s VAL 2 N 0.00 0.77 0.31 2.03 0.11 -1.26 -5.15 120.40 117.21 1yop s VAL 2 Ca 0.00 -0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1yop s VAL 2 Cb 0.00 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1yop s VAL 2 CO 0.00 0.27 0.52 -0.55 -3.33 0.00 0.00 175.10 172.01 1yop s SER 3 N 0.69 6.34 -0.08 3.54 0.15 -1.26 -5.12 113.70 117.96 1yop s SER 3 Ca -0.11 0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.88 1yop s SER 3 Cb -0.14 -2.04 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1yop s SER 3 CO 0.01 -0.23 0.33 0.42 1.20 0.00 0.00 173.24 174.98 1yop s THR 4 N -2.19 0.02 -0.14 6.45 -4.23 -1.26 -4.67 115.64 109.62 1yop s THR 4 Ca 0.40 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1yop s THR 4 Cb -0.10 -0.54 -0.10 0.00 1.34 0.00 0.00 72.50 73.10 1yop s THR 4 CO 0.34 -0.10 -0.11 -1.22 -0.54 0.00 0.00 174.62 172.98 1yop n TYR 5 N 2.24 0.00 -3.89 3.99 4.02 -1.09 -5.03 117.16 117.39 1yop n TYR 5 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.63 1yop n TYR 5 Cb 0.57 -0.54 -0.01 0.00 -0.02 0.00 0.00 39.34 39.34 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 -5.26 0.06 -0.05 7.72 2.15 -1.26 -5.09 116.67 114.94 1yop s ASP 6 Ca -0.18 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 51.78 1yop s ASP 6 Cb 0.05 0.75 0.02 0.00 -0.30 0.00 0.00 42.92 43.45 1yop s ASP 6 CO 0.34 -1.46 -0.02 -1.83 -0.17 0.00 0.00 175.17 172.03 1yop s GLU 7 N -3.10 0.68 0.17 4.34 -1.05 -1.26 -1.29 118.70 117.19 1yop s GLU 7 Ca 0.18 -0.00 0.11 0.00 -0.15 0.00 0.00 54.97 55.11 1yop s GLU 7 Cb -0.04 -0.84 -0.04 0.00 -0.44 0.00 0.00 34.13 32.76 1yop s GLU 7 CO 0.11 -0.17 -0.25 0.42 0.95 0.00 0.00 175.26 176.32 1yop s ILE 8 N 1.33 2.33 0.06 1.83 1.01 -0.03 -4.97 121.20 122.76 1yop s ILE 8 Ca -0.05 -1.91 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 1yop s ILE 8 Cb -0.13 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 1yop s ILE 8 CO -0.02 -0.03 0.27 -1.61 0.00 0.00 0.00 174.94 173.55 1yop s GLU 9 N -2.41 3.54 0.49 2.79 2.02 -1.26 -1.58 118.70 122.28 1yop s GLU 9 Ca 0.18 -0.21 0.16 0.00 0.02 0.00 0.00 54.97 55.12 1yop s GLU 9 Cb -0.09 -3.01 1.18 0.00 0.10 0.00 0.00 34.13 32.31 1yop s GLU 9 CO 0.08 0.59 2.08 0.97 0.02 0.00 0.00 175.26 179.00 1yop h ILE 10 N 2.48 0.95 -0.33 -1.63 6.09 -1.36 -1.07 117.51 122.65 1yop h ILE 10 Ca -0.47 -0.06 0.02 0.00 -1.37 0.00 0.00 64.86 62.98 1yop h ILE 10 Cb 1.18 0.76 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 1yop h ILE 10 CO 0.71 0.03 0.22 1.05 -3.07 0.00 0.00 178.15 177.09 1yop h GLU 11 N 0.17 0.36 -1.07 2.19 4.11 -1.94 -1.50 114.58 116.90 1yop h GLU 11 Ca 0.12 -0.02 -0.54 0.00 0.07 0.00 0.00 59.36 58.99 1yop h GLU 11 Cb 0.27 -0.08 -0.26 0.00 0.50 0.00 0.00 28.75 29.18 1yop h GLU 11 CO -0.02 0.24 0.70 -3.47 0.07 0.00 0.00 179.01 176.53 1yop n ASP 12 N -4.49 5.96 -4.43 3.06 -0.08 -0.40 -4.93 116.55 111.23 1yop n ASP 12 Ca 0.03 -3.54 -0.25 0.00 -1.51 0.00 0.00 54.79 49.52 1yop n ASP 12 Cb 0.13 -0.92 -0.11 0.00 2.34 0.00 0.00 41.12 42.56 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 -3.18 1.54 0.41 -0.67 1.75 -0.57 -4.89 119.30 113.69 1yop s MET 13 Ca 0.54 -1.61 -0.19 0.00 -1.25 0.00 0.00 55.69 53.18 1yop s MET 13 Cb 0.44 -1.71 -0.10 0.00 2.84 0.00 0.00 34.83 36.29 1yop s MET 13 CO 0.03 0.34 0.90 0.99 -0.65 0.00 0.00 175.02 176.63 1yop s THR 14 N -2.12 4.46 0.05 10.11 2.01 0.15 -4.93 115.64 125.38 1yop s THR 14 Ca 0.24 1.35 0.09 0.00 0.31 0.00 0.00 61.69 63.68 1yop s THR 14 Cb -0.06 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1yop s THR 14 CO 0.11 -0.29 -0.25 0.72 -0.69 0.00 0.00 174.62 174.21 1yop s PHE 15 N -2.14 2.23 -0.57 4.92 -0.71 -1.26 0.04 117.98 120.48 1yop s PHE 15 Ca 0.60 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 56.11 1yop s PHE 15 Cb -0.09 -1.32 0.14 0.00 -1.21 0.00 0.00 43.02 40.54 1yop s PHE 15 CO 0.14 0.13 0.34 -2.00 -1.34 0.00 0.00 175.22 172.50 1yop s GLU 16 N -1.28 2.19 -0.74 1.99 2.56 0.19 -4.81 118.70 118.79 1yop s GLU 16 Ca 0.11 -2.71 -0.24 0.00 0.00 0.00 0.00 54.97 52.13 1yop s GLU 16 Cb -0.10 -3.44 -0.18 0.00 2.00 0.00 0.00 34.13 32.41 1yop s GLU 16 CO 0.02 -1.15 1.88 -2.30 -0.56 0.00 0.00 175.26 173.16 1yop n PRO 17 N 3.03 1.23 0.01 4.30 -0.02 -1.26 -3.50 135.00 138.79 1yop n PRO 17 Ca 0.08 -1.83 0.00 0.00 -2.02 0.00 0.00 63.50 59.72 1yop n PRO 17 Cb 0.34 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 1yop n PRO 17 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1yop n GLU 18 N 7.47 0.00 -0.81 -0.52 -0.00 -1.26 -4.95 120.64 120.57 1yop n GLU 18 Ca 0.48 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.69 1yop n GLU 18 Cb 0.42 0.00 0.10 0.00 -0.00 0.00 0.00 31.44 31.97 1yop n GLU 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1yop n ASN 19 N -2.54 1.32 -3.49 -1.84 3.02 -1.24 -4.94 115.26 105.55 1yop n ASN 19 Ca 0.00 -2.85 -0.20 0.00 -0.03 0.00 0.00 54.58 51.50 1yop n ASN 19 Cb 0.00 -0.39 0.06 0.00 -0.61 0.00 0.00 39.78 38.84 1yop n ASN 19 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1yop n GLN 20 N -0.46 -3.96 -4.15 3.52 -0.06 -1.25 -4.99 117.38 106.04 1yop n GLN 20 Ca 0.11 0.73 -0.14 0.00 -2.00 0.00 0.00 57.00 55.71 1yop n GLN 20 Cb 0.84 -5.41 -0.11 0.00 -4.06 0.00 0.00 30.24 21.50 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 -5.31 0.77 0.09 3.69 0.23 -1.23 -3.24 119.30 114.30 1yop s MET 21 Ca 0.22 -1.07 0.10 0.00 -1.03 0.00 0.00 55.69 53.90 1yop s MET 21 Cb -0.04 -0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 32.74 1yop s MET 21 CO 0.78 0.07 -0.25 -0.06 -2.03 0.00 0.00 175.02 173.53 1yop s PHE 22 N -2.22 2.37 0.42 3.16 0.40 0.12 0.52 117.98 122.76 1yop s PHE 22 Ca 0.02 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1yop s PHE 22 Cb -0.04 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 1yop s PHE 22 CO -0.00 0.27 0.04 0.95 0.70 0.00 0.00 175.22 177.18 1yop s THR 23 N -0.98 1.35 -0.30 0.64 -4.23 0.11 -0.62 115.64 111.62 1yop s THR 23 Ca 0.14 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 1yop s THR 23 Cb -0.10 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.33 1yop s THR 23 CO 0.05 0.00 0.96 -0.47 -0.54 0.00 0.00 174.62 174.62 1yop s TYR 24 N -2.97 -0.74 -0.72 3.99 5.04 -0.92 0.33 117.35 121.36 1yop s TYR 24 Ca 0.25 0.42 -0.28 0.00 -2.44 0.00 0.00 57.07 55.02 1yop s TYR 24 Cb 0.06 0.13 -0.14 0.00 0.35 0.00 0.00 41.96 42.36 1yop s TYR 24 CO 0.12 -0.43 2.54 -2.30 -1.34 0.00 0.00 175.55 174.14 1yop n PRO 25 N 5.14 0.58 -1.80 4.97 -0.02 -1.26 -0.21 135.00 142.40 1yop n PRO 25 Ca 0.09 -0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1yop n PRO 25 Cb 0.57 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 1yop n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yop h PRO 27 N 3.62 0.00 -0.45 0.00 0.11 -1.90 0.01 132.00 133.39 1yop h PRO 27 Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1yop h PRO 27 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1yop h PRO 27 CO 0.69 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.35 1yop n GLY 29 N -0.35 2.77 1.10 0.00 0.00 -0.01 -5.06 105.19 103.64 1yop n GLY 29 Ca 0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.01 -3.95 1.61 2.03 -1.26 -4.71 116.55 109.27 1yop n ASP 30 Ca 0.00 -0.81 -0.26 0.00 0.52 0.00 0.00 54.79 54.24 1yop n ASP 30 Cb 0.00 -0.31 -0.17 0.00 -0.72 0.00 0.00 41.12 39.92 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 -3.79 1.55 0.79 -0.67 3.52 -1.26 0.16 118.95 119.25 1yop s ARG 31 Ca 0.22 -0.30 -0.14 0.00 -0.13 0.00 0.00 55.73 55.38 1yop s ARG 31 Cb -0.02 -1.48 0.07 0.00 -1.56 0.00 0.00 34.95 31.96 1yop s ARG 31 CO 0.17 -0.15 1.20 -0.06 -0.81 0.00 0.00 175.30 175.65 1yop s PHE 32 N 1.29 1.88 -0.20 5.12 0.08 0.70 -4.74 117.98 122.11 1yop s PHE 32 Ca -0.03 1.65 -0.04 0.00 0.12 0.00 0.00 56.93 58.63 1yop s PHE 32 Cb -0.14 -3.47 0.10 0.00 -0.57 0.00 0.00 43.02 38.94 1yop s PHE 32 CO -0.03 -2.76 0.27 1.14 -0.10 0.00 0.00 175.22 173.74 1yop s GLN 33 N -4.10 0.23 -0.02 0.44 -2.07 -1.26 -2.18 119.66 110.70 1yop s GLN 33 Ca 0.73 0.40 -0.00 0.00 -1.82 0.00 0.00 55.36 54.67 1yop s GLN 33 Cb -0.28 -0.78 0.02 0.00 -1.09 0.00 0.00 33.01 30.87 1yop s GLN 33 CO 0.49 -0.58 0.03 -1.50 -1.32 0.00 0.00 175.29 172.42 1yop s ILE 34 N 2.40 -0.03 0.51 3.63 2.07 0.21 -4.98 121.20 125.02 1yop s ILE 34 Ca 0.07 0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.38 1yop s ILE 34 Cb -0.15 -0.07 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 1yop s ILE 34 CO -0.12 0.04 0.80 -0.31 -1.91 0.00 0.00 174.94 173.44 1yop s TYR 35 N 0.56 3.43 0.15 3.50 1.51 -1.26 0.14 117.35 125.38 1yop s TYR 35 Ca -0.05 0.68 -0.17 0.00 -1.01 0.00 0.00 57.07 56.53 1yop s TYR 35 Cb -0.07 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1yop s TYR 35 CO -0.02 -0.43 1.78 -0.07 -1.11 0.00 0.00 175.55 175.70 1yop h LEU 36 N 0.14 0.45 -1.30 -1.29 -0.00 -1.93 -2.35 115.31 109.04 1yop h LEU 36 Ca -0.46 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.37 1yop h LEU 36 Cb 1.23 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 1yop h LEU 36 CO 0.61 0.36 0.39 0.44 -0.00 0.00 0.00 178.44 180.24 1yop h ASP 37 N 0.51 0.76 -0.83 -0.43 3.32 -1.95 -2.11 116.42 115.69 1yop h ASP 37 Ca 0.14 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1yop h ASP 37 Cb -0.01 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1yop h ASP 37 CO -0.03 0.58 0.51 -0.78 -1.72 0.00 0.00 179.24 177.81 1yop h ASP 38 N 0.88 0.99 -0.58 6.45 3.58 -1.83 -1.65 116.42 124.26 1yop h ASP 38 Ca 0.23 -0.06 -0.30 0.00 0.42 0.00 0.00 57.03 57.33 1yop h ASP 38 Cb -0.04 -0.25 -0.18 0.00 1.72 0.00 0.00 39.33 40.58 1yop h ASP 38 CO -0.04 0.75 0.38 0.23 -2.88 0.00 0.00 179.24 177.67 1yop n MET 39 N -4.46 1.79 0.00 0.28 2.81 -0.82 -3.97 117.12 112.76 1yop n MET 39 Ca 0.09 -1.78 0.00 0.00 -1.81 0.00 0.00 57.70 54.20 1yop n MET 39 Cb 0.05 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 -0.44 0.00 0.10 2.03 7.35 -0.66 -4.81 117.46 121.02 1yop n PHE 40 Ca 0.35 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.00 1yop n PHE 40 Cb 1.18 0.06 -0.02 0.00 0.35 0.00 0.00 39.48 41.05 1yop n PHE 40 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1yop h GLU 41 N 0.00 -0.24 0.00 -4.13 3.07 -1.60 -3.44 114.58 108.24 1yop h GLU 41 Ca 0.00 0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.72 1yop h GLU 41 Cb 0.69 0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 28.53 1yop h GLU 41 CO 0.00 -0.16 -0.10 0.41 -1.40 0.00 0.00 179.01 177.76 1yop n GLY 42 N -1.12 -0.27 3.72 -3.84 0.00 -1.26 -5.16 105.19 97.26 1yop n GLY 42 Ca -0.03 0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1yop n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yop s GLU 43 N 0.12 2.54 0.00 1.61 8.01 -1.25 -5.00 118.70 124.74 1yop s GLU 43 Ca 0.17 -1.29 0.00 0.00 0.01 0.00 0.00 54.97 53.86 1yop s GLU 43 Cb 0.26 -2.32 0.00 0.00 -4.31 0.00 0.00 34.13 27.76 1yop s GLU 43 CO -0.10 0.36 0.00 0.36 0.01 0.00 0.00 175.26 175.89 1yop n LYS 44 N -1.02 0.00 -3.99 1.61 0.00 -1.26 -4.90 118.16 108.60 1yop n LYS 44 Ca -0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.90 1yop n LYS 44 Cb 0.59 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.47 1yop n LYS 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1yop s VAL 45 N -1.51 2.66 0.48 0.58 0.11 -1.26 -0.40 120.40 121.06 1yop s VAL 45 Ca 0.00 -1.28 0.03 0.00 -2.93 0.00 0.00 61.98 57.80 1yop s VAL 45 Cb 0.00 -2.44 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1yop s VAL 45 CO 0.00 0.08 0.68 0.00 -3.33 0.00 0.00 175.10 172.52 1yop s ALA 46 N 1.24 4.03 -0.03 1.54 0.00 -0.37 -4.88 121.76 123.29 1yop s ALA 46 Ca -0.03 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 1yop s ALA 46 Cb -0.18 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.01 1yop s ALA 46 CO -0.04 -0.50 0.04 0.08 0.00 0.00 0.00 175.76 175.34 1yop s VAL 47 N -2.57 -0.05 -0.28 0.00 1.01 -1.26 -1.89 120.40 115.35 1yop s VAL 47 Ca 0.53 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1yop s VAL 47 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1yop s VAL 47 CO 0.36 0.13 1.41 0.00 0.00 0.00 0.00 175.10 177.01 1yop h PRO 49 N 9.88 0.00 0.06 0.00 0.11 -1.96 1.05 132.00 141.14 1yop h PRO 49 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1yop h PRO 49 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1yop h PRO 49 CO 1.03 0.00 -0.03 1.03 -0.21 0.00 0.00 178.00 179.82 1yop h SER 50 N 0.00 -0.07 1.44 -2.05 0.87 -1.99 -3.38 113.55 108.37 1yop h SER 50 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1yop h SER 50 Cb 0.08 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1yop h SER 50 CO -0.00 0.06 -0.58 0.00 -0.53 0.00 0.00 176.83 175.78 1yop n SER 52 N -3.02 -3.99 -4.87 0.00 2.88 0.36 -5.03 113.62 99.95 1yop n SER 52 Ca 0.00 -0.23 -0.35 0.00 -1.33 0.00 0.00 58.87 56.96 1yop n SER 52 Cb 0.64 -2.59 -0.06 0.00 -0.75 0.00 0.00 64.21 61.46 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 -3.85 4.27 -0.06 2.46 2.96 -1.24 -4.87 118.68 118.36 1yop s LEU 53 Ca 0.26 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.39 1yop s LEU 53 Cb -0.11 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1yop s LEU 53 CO 0.32 0.32 0.33 -0.04 -1.32 0.00 0.00 176.35 175.96 1yop s MET 54 N -1.54 3.88 -0.06 1.98 -1.94 -1.26 -2.51 119.30 117.85 1yop s MET 54 Ca 0.22 0.24 -0.11 0.00 -1.71 0.00 0.00 55.69 54.33 1yop s MET 54 Cb -0.12 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.49 1yop s MET 54 CO 0.12 0.62 0.27 0.96 -0.01 0.00 0.00 175.02 176.99 1yop s ILE 55 N -0.76 0.03 -0.53 2.53 -5.25 -0.79 -2.69 121.20 113.74 1yop s ILE 55 Ca 0.21 -0.28 -0.20 0.00 -0.99 0.00 0.00 60.65 59.39 1yop s ILE 55 Cb -0.15 -0.49 0.06 0.00 2.95 0.00 0.00 42.46 44.83 1yop s ILE 55 CO 0.10 -0.15 0.69 -1.81 -1.79 0.00 0.00 174.94 171.98 1yop s ASP 56 N -0.61 6.24 -0.31 4.36 1.11 -0.41 -1.23 116.67 125.81 1yop s ASP 56 Ca -0.07 -0.87 -0.07 0.00 0.18 0.00 0.00 52.55 51.72 1yop s ASP 56 Cb -0.04 -2.32 0.02 0.00 1.07 0.00 0.00 42.92 41.65 1yop s ASP 56 CO 0.02 -0.98 0.10 0.54 1.18 0.00 0.00 175.17 176.02 1yop s VAL 57 N 2.90 3.95 0.37 -1.27 0.11 0.47 -0.85 120.40 126.08 1yop s VAL 57 Ca 0.17 -0.84 -0.17 0.00 -2.93 0.00 0.00 61.98 58.21 1yop s VAL 57 Cb -0.18 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.46 1yop s VAL 57 CO 0.13 -0.02 0.82 0.54 -3.33 0.00 0.00 175.10 173.23 1yop s VAL 58 N 1.47 4.58 0.51 2.04 0.11 -0.62 -4.55 120.40 123.94 1yop s VAL 58 Ca 0.01 1.12 0.02 0.00 -2.93 0.00 0.00 61.98 60.20 1yop s VAL 58 Cb -0.18 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1yop s VAL 58 CO 0.03 -0.27 0.03 0.72 -3.33 0.00 0.00 175.10 172.28 1yop s PHE 59 N -2.10 1.90 0.42 1.54 -0.12 -1.26 -0.88 117.98 117.48 1yop s PHE 59 Ca 0.57 -0.93 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 1yop s PHE 59 Cb -0.10 -1.64 -0.06 0.00 -0.63 0.00 0.00 43.02 40.59 1yop s PHE 59 CO 0.17 0.20 0.02 -0.51 -0.05 0.00 0.00 175.22 175.06 1yop s ASP 60 N -3.89 3.64 -0.20 1.98 1.01 -1.26 -4.91 116.67 113.04 1yop s ASP 60 Ca 0.09 -1.47 -0.06 0.00 0.71 0.00 0.00 52.55 51.82 1yop s ASP 60 Cb 0.02 -0.04 -0.10 0.00 1.01 0.00 0.00 42.92 43.81 1yop s ASP 60 CO 0.05 -0.62 -0.22 0.29 0.21 0.00 0.00 175.17 174.88 1yop n LYS 61 N -1.00 0.44 -0.19 8.23 4.76 -1.26 -4.34 118.16 124.80 1yop n LYS 61 Ca -0.08 0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 1yop n LYS 61 Cb 0.67 -1.27 0.01 0.00 -1.84 0.00 0.00 35.03 32.60 1yop n LYS 61 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1yop h GLU 62 N -0.45 1.00 -0.82 1.97 4.11 -2.00 -2.93 114.58 115.46 1yop h GLU 62 Ca -0.48 -0.33 0.05 0.00 0.07 0.00 0.00 59.36 58.68 1yop h GLU 62 Cb 1.52 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 1yop h GLU 62 CO -0.22 1.01 0.54 0.22 0.07 0.00 0.00 179.01 180.62 1yop h ASP 63 N 0.88 0.82 -0.88 3.06 3.58 -1.98 0.59 116.42 122.49 1yop h ASP 63 Ca 0.15 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1yop h ASP 63 Cb 0.57 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1yop h ASP 63 CO 0.03 0.54 0.55 -0.07 -2.88 0.00 0.00 179.24 177.42 1yop h LEU 64 N 0.94 1.04 0.16 2.28 4.07 -1.71 0.35 115.31 122.43 1yop h LEU 64 Ca 0.34 -0.05 -0.26 0.00 0.08 0.00 0.00 57.88 57.99 1yop h LEU 64 Cb 0.16 -0.26 0.02 0.00 1.08 0.00 0.00 40.66 41.66 1yop h LEU 64 CO -0.12 0.78 -1.23 0.00 -1.08 0.00 0.00 178.44 176.79 1yop h ALA 65 N 1.30 0.00 0.05 1.53 0.00 -1.34 -2.95 119.26 117.86 1yop h ALA 65 Ca 0.32 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1yop h ALA 65 Cb -0.09 0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yop h ALA 65 CO -0.06 0.65 -0.03 1.49 0.00 0.00 0.00 179.25 181.30 1yop h GLU 66 N -0.20 -0.07 -0.15 0.00 4.81 0.23 -2.42 114.58 116.79 1yop h GLU 66 Ca -0.24 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1yop h GLU 66 Cb 1.83 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 1yop h GLU 66 CO 0.15 0.01 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.45 1yop h TYR 67 N -0.13 0.23 0.90 0.92 3.20 -0.46 -0.95 116.97 120.67 1yop h TYR 67 Ca -0.01 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1yop h TYR 67 Cb 0.11 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.32 1yop h TYR 67 CO -0.06 0.30 -0.43 -0.92 -1.64 0.00 0.00 178.16 175.42 1yop h TYR 68 N 0.22 -1.12 -0.42 -3.82 5.03 -1.28 0.46 116.97 116.05 1yop h TYR 68 Ca 0.05 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.29 1yop h TYR 68 Cb 0.27 0.37 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 1yop h TYR 68 CO 0.00 -0.69 0.07 1.49 -1.32 0.00 0.00 178.16 177.71 1yop h GLU 69 N -1.30 0.63 -0.17 1.82 4.57 -1.39 0.22 114.58 118.96 1yop h GLU 69 Ca -0.12 -0.12 -0.17 0.00 -1.18 0.00 0.00 59.36 57.76 1yop h GLU 69 Cb 0.93 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1yop h GLU 69 CO 0.20 0.61 -0.59 0.93 -1.18 0.00 0.00 179.01 178.98 1yop h GLU 70 N 0.61 0.57 0.22 1.92 5.08 -1.10 -3.27 114.58 118.61 1yop h GLU 70 Ca 0.14 -0.38 -0.31 0.00 -1.00 0.00 0.00 59.36 57.81 1yop h GLU 70 Cb 0.28 0.05 0.04 0.00 0.50 0.00 0.00 28.75 29.62 1yop h GLU 70 CO 0.00 0.99 -1.34 0.00 -1.00 0.00 0.00 179.01 177.66 1yop h ALA 71 N 0.93 -0.13 -4.69 3.43 0.00 0.24 -3.49 119.26 115.54 1yop h ALA 71 Ca -0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 54.91 53.96 1yop h ALA 71 Cb 1.14 0.16 0.11 0.00 0.00 0.00 0.00 17.79 19.20 1yop h ALA 71 CO 0.11 0.64 -0.46 0.41 0.00 0.00 0.00 179.25 179.95 1yop n GLY 72 N 1.65 -0.63 0.34 0.00 0.00 0.75 -4.92 105.19 102.39 1yop n GLY 72 Ca -0.16 0.31 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.51 1.02 -2.99 -0.61 6.09 -1.92 -3.42 117.51 115.17 1yop h ILE 73 Ca -0.33 -0.22 -0.61 0.00 -1.37 0.00 0.00 64.86 62.33 1yop h ILE 73 Cb 1.17 0.33 -0.04 0.00 0.47 0.00 0.00 36.82 38.75 1yop h ILE 73 CO 0.28 0.12 -0.43 -1.00 -3.07 0.00 0.00 178.15 174.05 1yop s HIS 74 N -5.57 3.51 0.70 2.19 3.76 -1.26 -5.06 115.29 113.56 1yop s HIS 74 Ca -0.09 0.37 -0.16 0.00 -0.15 0.00 0.00 55.06 55.03 1yop s HIS 74 Cb 0.19 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 1yop s HIS 74 CO 0.76 0.55 0.78 -2.30 -0.85 0.00 0.00 174.74 173.67 1yop n PRO 75 N 0.32 0.48 0.12 8.40 -0.02 -1.26 -4.91 135.00 138.12 1yop n PRO 75 Ca -0.05 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1yop n PRO 75 Cb 0.51 -2.03 0.31 0.00 -0.02 0.00 0.00 33.50 32.27 1yop n PRO 75 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1yop h PRO 76 N -0.18 0.18 -2.39 0.52 0.13 -1.98 -3.38 132.00 124.91 1yop h PRO 76 Ca -0.47 -0.07 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 1yop h PRO 76 Cb 1.35 -0.01 -0.37 0.00 0.13 0.00 0.00 31.00 32.10 1yop h PRO 76 CO 0.46 0.48 -0.85 -2.00 -0.23 0.00 0.00 178.00 175.85 1yop s GLU 77 N -4.35 0.66 1.07 0.86 2.56 -1.26 -5.15 118.70 113.10 1yop s GLU 77 Ca -0.04 -1.46 -0.18 0.00 0.00 0.00 0.00 54.97 53.29 1yop s GLU 77 Cb 0.14 -1.21 0.27 0.00 2.00 0.00 0.00 34.13 35.33 1yop s GLU 77 CO 0.75 -1.26 0.96 -0.35 -0.56 0.00 0.00 175.26 174.80 1yop n PRO 78 N 3.73 -2.85 -2.05 4.30 -0.04 -1.26 -4.40 135.00 132.42 1yop n PRO 78 Ca 0.17 -1.54 -0.03 0.00 -0.04 0.00 0.00 63.50 62.06 1yop n PRO 78 Cb 0.42 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1yop n PRO 78 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1yop n ILE 79 N -4.55 -8.82 -3.31 0.52 5.41 -1.26 -4.52 119.36 102.83 1yop n ILE 79 Ca 0.13 1.70 -0.23 0.00 1.00 0.00 0.00 62.75 65.35 1yop n ILE 79 Cb 0.52 -5.19 0.06 0.00 -0.71 0.00 0.00 39.64 34.32 1yop n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yop n ALA 80 N 1.02 -1.14 -2.72 -1.39 0.00 -1.26 -4.98 120.51 110.04 1yop n ALA 80 Ca -0.19 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 1yop n ALA 80 Cb 0.30 -4.73 -0.07 0.00 0.00 0.00 0.00 19.45 14.95 1yop n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop s ALA 81 N -3.25 3.60 0.70 0.00 0.00 -1.26 -5.09 121.76 116.46 1yop s ALA 81 Ca 0.45 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1yop s ALA 81 Cb -0.20 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.54 1yop s ALA 81 CO 0.55 0.12 1.09 0.00 0.00 0.00 0.00 175.76 177.53 1yop s ALA 82 N 0.34 2.91 0.00 0.00 0.00 -1.26 -5.08 121.76 118.66 1yop s ALA 82 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1yop s ALA 82 Cb -0.13 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1yop s ALA 82 CO 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 175.76 174.67