#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 4.80 -0.16 2.03 -7.23 -1.26 -5.09 120.40 113.49 1yop s VAL 2 Ca 0.00 0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 60.70 1yop s VAL 2 Cb 0.00 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.29 1yop s VAL 2 CO 0.00 -0.48 0.35 -0.44 -0.31 0.00 0.00 175.10 174.22 1yop s SER 3 N -3.10 -0.11 0.27 4.85 0.01 -1.26 -5.17 113.70 109.20 1yop s SER 3 Ca 0.51 0.80 0.08 0.00 1.31 0.00 0.00 55.95 58.65 1yop s SER 3 Cb -0.10 0.93 -0.04 0.00 0.21 0.00 0.00 66.02 67.01 1yop s SER 3 CO 0.30 -0.22 0.10 0.42 0.41 0.00 0.00 173.24 174.25 1yop s THR 4 N 2.17 3.74 -0.15 1.44 -4.23 -1.26 -4.85 115.64 112.49 1yop s THR 4 Ca -0.03 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1yop s THR 4 Cb -0.11 -3.07 -0.12 0.00 1.34 0.00 0.00 72.50 70.54 1yop s THR 4 CO -0.11 -0.33 -0.09 -1.22 -0.54 0.00 0.00 174.62 172.33 1yop n TYR 5 N -1.05 0.00 -3.95 3.99 4.02 -1.24 -5.07 117.16 113.86 1yop n TYR 5 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.74 1yop n TYR 5 Cb 0.59 -0.61 -0.08 0.00 -0.02 0.00 0.00 39.34 39.22 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 -5.27 0.20 -0.00 7.72 2.15 -1.26 -5.12 116.67 115.08 1yop s ASP 6 Ca -0.17 -0.82 -0.01 0.00 0.43 0.00 0.00 52.55 51.97 1yop s ASP 6 Cb 0.05 0.32 -0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1yop s ASP 6 CO 0.40 -0.73 0.03 -1.61 -0.17 0.00 0.00 175.17 173.09 1yop s GLU 7 N -3.91 0.16 0.04 4.34 2.02 -1.26 -2.88 118.70 117.21 1yop s GLU 7 Ca 0.09 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1yop s GLU 7 Cb 0.05 0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.32 1yop s GLU 7 CO -0.08 -0.03 -0.05 0.42 0.02 0.00 0.00 175.26 175.54 1yop s ILE 8 N -0.53 0.37 0.17 -1.63 1.09 -1.15 -5.01 121.20 114.52 1yop s ILE 8 Ca -0.06 -1.21 0.00 0.00 -1.10 0.00 0.00 60.65 58.29 1yop s ILE 8 Cb -0.04 -0.72 -0.04 0.00 -1.06 0.00 0.00 42.46 40.61 1yop s ILE 8 CO -0.00 -0.55 0.34 -1.83 -0.10 0.00 0.00 174.94 172.80 1yop s GLU 9 N -2.07 3.49 0.54 2.79 1.03 -1.26 -1.77 118.70 121.44 1yop s GLU 9 Ca -0.08 -0.41 0.26 0.00 0.03 0.00 0.00 54.97 54.77 1yop s GLU 9 Cb -0.06 -2.89 1.41 0.00 -0.80 0.00 0.00 34.13 31.79 1yop s GLU 9 CO -0.02 0.46 2.00 -0.84 -1.33 0.00 0.00 175.26 175.52 1yop h ILE 10 N 1.64 0.70 -0.94 1.83 -2.65 -1.82 -0.97 117.51 115.29 1yop h ILE 10 Ca -0.48 0.00 0.09 0.00 1.03 0.00 0.00 64.86 65.50 1yop h ILE 10 Cb 1.19 0.73 -0.07 0.00 -2.05 0.00 0.00 36.82 36.62 1yop h ILE 10 CO 0.69 0.00 0.61 -0.08 0.03 0.00 0.00 178.15 179.40 1yop h GLU 11 N 0.00 0.97 -0.99 0.16 4.81 -1.94 -0.99 114.58 116.60 1yop h GLU 11 Ca 0.24 -0.06 -0.37 0.00 -0.13 0.00 0.00 59.36 59.04 1yop h GLU 11 Cb 1.00 -0.22 -0.22 0.00 0.63 0.00 0.00 28.75 29.94 1yop h GLU 11 CO -0.00 0.64 0.47 -0.25 -0.73 0.00 0.00 179.01 179.15 1yop n ASP 12 N -4.53 3.60 -4.43 1.04 9.92 -0.37 -4.91 116.55 116.87 1yop n ASP 12 Ca 0.16 -3.18 -0.33 0.00 -0.53 0.00 0.00 54.79 50.91 1yop n ASP 12 Cb 0.27 -0.75 -0.14 0.00 -0.64 0.00 0.00 41.12 39.86 1yop n ASP 12 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1yop s MET 13 N -2.46 2.76 -0.57 -1.24 1.75 -0.38 -4.93 119.30 114.23 1yop s MET 13 Ca 0.42 -0.71 -0.27 0.00 -1.25 0.00 0.00 55.69 53.88 1yop s MET 13 Cb 0.36 -2.43 -0.01 0.00 2.84 0.00 0.00 34.83 35.59 1yop s MET 13 CO 0.08 0.48 1.71 0.99 -0.65 0.00 0.00 175.02 177.63 1yop s THR 14 N -0.37 3.50 0.04 10.11 2.01 0.18 -4.88 115.64 126.23 1yop s THR 14 Ca 0.04 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 1yop s THR 14 Cb -0.12 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1yop s THR 14 CO 0.02 -0.97 0.95 0.72 -0.69 0.00 0.00 174.62 174.65 1yop s PHE 15 N 7.83 3.72 -0.57 4.92 -0.12 -1.26 -0.06 117.98 132.44 1yop s PHE 15 Ca 0.63 1.71 -0.07 0.00 -0.05 0.00 0.00 56.93 59.15 1yop s PHE 15 Cb -0.13 -3.06 0.15 0.00 -0.63 0.00 0.00 43.02 39.34 1yop s PHE 15 CO 0.23 0.09 0.42 -1.21 -0.05 0.00 0.00 175.22 174.70 1yop s GLU 16 N 0.56 2.59 -1.12 1.99 0.41 -0.14 -4.95 118.70 118.04 1yop s GLU 16 Ca 0.49 -2.16 -0.07 0.00 -0.41 0.00 0.00 54.97 52.82 1yop s GLU 16 Cb -0.22 -3.87 -0.07 0.00 -1.78 0.00 0.00 34.13 28.19 1yop s GLU 16 CO 0.28 -1.18 2.45 -0.35 -0.49 0.00 0.00 175.26 175.97 1yop n PRO 17 N 4.20 2.63 0.00 0.39 -0.04 -1.26 -3.40 135.00 137.51 1yop n PRO 17 Ca 0.02 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1yop n PRO 17 Cb 0.41 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.90 0.00 -1.36 0.54 0.28 -1.26 -4.66 120.64 118.08 1yop n GLU 18 Ca 0.56 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.60 1yop n GLU 18 Cb 0.19 -0.33 0.03 0.00 1.43 0.00 0.00 31.44 32.76 1yop n GLU 18 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1yop n ASN 19 N -2.74 0.93 -3.26 -1.84 3.02 -1.25 -4.60 115.26 105.53 1yop n ASN 19 Ca 0.00 -2.08 -0.14 0.00 -0.03 0.00 0.00 54.58 52.33 1yop n ASN 19 Cb 0.29 -0.30 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.38 -1.98 -4.23 3.52 1.13 -1.24 -4.96 117.38 109.99 1yop n GLN 20 Ca 0.06 0.95 -0.17 0.00 -1.94 0.00 0.00 57.00 55.90 1yop n GLN 20 Cb 1.08 -5.63 -0.14 0.00 0.11 0.00 0.00 30.24 25.66 1yop n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yop s MET 21 N -4.29 0.56 -0.18 -1.09 0.23 -1.22 -3.06 119.30 110.26 1yop s MET 21 Ca 0.37 -0.31 -0.03 0.00 -1.03 0.00 0.00 55.69 54.69 1yop s MET 21 Cb -0.06 -0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 32.70 1yop s MET 21 CO 0.75 0.14 -0.06 -0.06 -2.03 0.00 0.00 175.02 173.77 1yop s PHE 22 N -0.30 2.95 0.29 3.16 0.40 0.99 -0.97 117.98 124.50 1yop s PHE 22 Ca 0.01 -0.63 0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1yop s PHE 22 Cb -0.04 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 1yop s PHE 22 CO -0.00 -0.29 -0.11 0.95 0.70 0.00 0.00 175.22 176.47 1yop s THR 23 N 0.84 2.80 -0.24 0.64 -4.23 0.91 0.05 115.64 116.41 1yop s THR 23 Ca -0.02 -2.19 -0.19 0.00 -1.18 0.00 0.00 61.69 58.12 1yop s THR 23 Cb -0.15 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1yop s THR 23 CO 0.01 -0.36 0.62 -0.47 -0.54 0.00 0.00 174.62 173.88 1yop s TYR 24 N -2.46 -0.77 -0.82 3.99 6.14 -0.77 0.52 117.35 123.17 1yop s TYR 24 Ca 0.31 1.75 -0.25 0.00 0.64 0.00 0.00 57.07 59.52 1yop s TYR 24 Cb -0.04 0.34 -0.03 0.00 0.42 0.00 0.00 41.96 42.64 1yop s TYR 24 CO 0.17 -0.38 1.89 -1.25 0.64 0.00 0.00 175.55 176.62 1yop s PRO 25 N 0.78 2.63 0.34 4.97 0.04 -1.26 0.85 135.00 143.35 1yop s PRO 25 Ca -0.04 -0.07 -0.28 0.00 0.04 0.00 0.00 61.00 60.65 1yop s PRO 25 Cb -0.05 -4.87 -0.12 0.00 0.04 0.00 0.00 34.50 29.50 1yop s PRO 25 CO -0.06 -3.12 1.35 0.00 0.04 0.00 0.00 177.00 175.21 1yop h PRO 27 N 2.89 0.00 -0.07 0.00 0.13 -1.93 -0.99 132.00 132.04 1yop h PRO 27 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1yop h PRO 27 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1yop h PRO 27 CO 0.65 0.00 -0.91 0.00 -0.23 0.00 0.00 178.00 177.51 1yop n GLY 29 N 0.88 3.04 2.43 0.00 0.00 -0.37 -5.07 105.19 106.10 1yop n GLY 29 Ca -0.09 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.35 -4.24 1.61 -0.08 -1.26 -4.68 116.55 106.56 1yop n ASP 30 Ca 0.00 -1.03 -0.33 0.00 -1.51 0.00 0.00 54.79 51.91 1yop n ASP 30 Cb 0.00 -0.68 -0.15 0.00 2.34 0.00 0.00 41.12 42.62 1yop n ASP 30 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1yop s ARG 31 N -4.75 3.18 -0.66 -0.67 3.52 -1.26 -0.52 118.95 117.79 1yop s ARG 31 Ca 0.49 -0.76 -0.27 0.00 -0.13 0.00 0.00 55.73 55.07 1yop s ARG 31 Cb -0.04 -2.65 -0.00 0.00 -1.56 0.00 0.00 34.95 30.70 1yop s ARG 31 CO 0.37 -0.06 1.64 -0.06 -0.81 0.00 0.00 175.30 176.38 1yop s PHE 32 N 0.99 1.89 -0.04 5.12 0.08 0.25 -4.76 117.98 121.51 1yop s PHE 32 Ca -0.02 0.47 -0.16 0.00 0.12 0.00 0.00 56.93 57.34 1yop s PHE 32 Cb -0.15 -4.29 -0.05 0.00 -0.57 0.00 0.00 43.02 37.96 1yop s PHE 32 CO -0.03 -2.22 0.42 -0.65 -0.10 0.00 0.00 175.22 172.64 1yop s GLN 33 N 6.55 4.08 -0.25 0.44 -0.21 -1.26 -1.85 119.66 127.16 1yop s GLN 33 Ca 0.55 0.41 -0.08 0.00 0.02 0.00 0.00 55.36 56.26 1yop s GLN 33 Cb -0.11 -3.30 0.11 0.00 1.00 0.00 0.00 33.01 30.72 1yop s GLN 33 CO 0.18 0.50 0.52 -1.50 -2.12 0.00 0.00 175.29 172.88 1yop s ILE 34 N -0.48 -0.81 0.57 1.08 1.10 0.11 -4.98 121.20 117.78 1yop s ILE 34 Ca 0.24 0.08 -0.10 0.00 -0.51 0.00 0.00 60.65 60.36 1yop s ILE 34 Cb -0.16 -0.83 -0.05 0.00 0.15 0.00 0.00 42.46 41.58 1yop s ILE 34 CO 0.12 0.03 0.96 -0.31 -2.11 0.00 0.00 174.94 173.63 1yop s TYR 35 N 2.74 3.59 0.27 3.50 1.51 -1.26 -0.01 117.35 127.69 1yop s TYR 35 Ca -0.02 1.20 -0.00 0.00 -1.01 0.00 0.00 57.07 57.24 1yop s TYR 35 Cb -0.12 -2.63 0.51 0.00 -0.11 0.00 0.00 41.96 39.61 1yop s TYR 35 CO -0.16 -0.53 1.84 -0.07 -1.11 0.00 0.00 175.55 175.52 1yop h LEU 36 N 0.02 0.92 -0.44 -1.29 3.38 -1.91 -1.17 115.31 114.83 1yop h LEU 36 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1yop h LEU 36 Cb 1.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1yop h LEU 36 CO 0.62 0.51 0.28 0.44 0.09 0.00 0.00 178.44 180.38 1yop h ASP 37 N 1.01 0.51 -0.64 -0.43 3.32 -1.93 -2.10 116.42 116.16 1yop h ASP 37 Ca 0.48 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1yop h ASP 37 Cb 0.42 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1yop h ASP 37 CO -0.25 0.39 0.41 0.44 -1.72 0.00 0.00 179.24 178.52 1yop h ASP 38 N 0.59 0.75 -0.54 6.45 3.32 -1.67 -1.38 116.42 123.93 1yop h ASP 38 Ca 0.16 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.84 1yop h ASP 38 Cb -0.04 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 39.16 1yop h ASP 38 CO -0.03 0.56 0.44 1.15 -1.72 0.00 0.00 179.24 179.63 1yop n MET 39 N -4.62 1.83 0.00 3.56 0.00 -0.54 -2.53 117.12 114.83 1yop n MET 39 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 57.70 56.03 1yop n MET 39 Cb 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.57 1yop n MET 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1yop n PHE 40 N 0.01 0.00 -0.12 3.17 7.35 -0.79 -4.87 117.46 122.21 1yop n PHE 40 Ca 0.33 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 57.05 1yop n PHE 40 Cb 0.76 0.49 0.33 0.00 0.35 0.00 0.00 39.48 41.42 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 0.77 0.00 -4.13 4.39 -1.42 -3.45 114.58 110.74 1yop h GLU 41 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1yop h GLU 41 Cb 0.01 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1yop h GLU 41 CO 0.00 0.51 0.00 0.41 -1.16 0.00 0.00 179.01 178.77 1yop n GLY 42 N -1.45 -0.08 2.82 -3.84 0.00 -1.25 -5.14 105.19 96.24 1yop n GLY 42 Ca 0.06 -0.04 -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 0.98 -0.07 1.61 2.56 -1.05 -4.94 118.70 117.79 1yop s GLU 43 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 54.97 53.84 1yop s GLU 43 Cb 0.00 -2.31 -0.07 0.00 2.00 0.00 0.00 34.13 33.75 1yop s GLU 43 CO 0.00 -0.89 -0.02 1.63 -0.56 0.00 0.00 175.26 175.41 1yop n LYS 44 N 4.73 1.59 -2.46 4.30 5.02 -1.26 -4.34 118.16 125.73 1yop n LYS 44 Ca -0.03 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1yop n LYS 44 Cb 0.43 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1yop n LYS 44 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yop n VAL 45 N -2.49 3.73 -3.15 -0.18 0.31 -1.26 -2.61 118.33 112.70 1yop n VAL 45 Ca -0.12 -3.84 -0.31 0.00 -0.01 0.00 0.00 64.34 60.06 1yop n VAL 45 Cb 0.68 -2.36 -0.05 0.00 -0.91 0.00 0.00 33.84 31.20 1yop n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yop s ALA 46 N 4.69 3.41 -0.05 3.52 0.00 -0.82 -4.82 121.76 127.69 1yop s ALA 46 Ca 0.55 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1yop s ALA 46 Cb 0.05 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1yop s ALA 46 CO 0.07 0.28 -0.06 0.54 0.00 0.00 0.00 175.76 176.59 1yop s VAL 47 N -2.05 0.66 -0.26 0.00 0.11 -1.26 -0.58 120.40 117.02 1yop s VAL 47 Ca 0.51 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 1yop s VAL 47 Cb -0.10 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1yop s VAL 47 CO 0.23 0.25 1.41 0.00 -3.33 0.00 0.00 175.10 173.65 1yop h PRO 49 N 9.71 0.00 0.06 0.00 0.11 -1.96 1.16 132.00 141.08 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 1.02 0.00 -0.03 1.03 -0.21 0.00 0.00 178.00 179.81 1yop h SER 50 N 0.00 -0.07 1.65 -2.05 0.87 -2.00 -3.38 113.55 108.57 1yop h SER 50 Ca 0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1yop h SER 50 Cb 0.32 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1yop h SER 50 CO -0.00 0.08 -0.36 0.00 -0.53 0.00 0.00 176.83 176.01 1yop n SER 52 N -3.08 -4.13 -4.53 0.00 2.88 0.40 -5.02 113.62 100.13 1yop n SER 52 Ca 0.02 -0.22 -0.35 0.00 -1.33 0.00 0.00 58.87 56.99 1yop n SER 52 Cb 0.62 -2.84 -0.11 0.00 -0.75 0.00 0.00 64.21 61.13 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 -4.03 3.51 0.21 2.46 0.20 -1.24 -4.87 118.68 114.93 1yop s LEU 53 Ca 0.24 -0.07 -0.23 0.00 0.69 0.00 0.00 54.13 54.75 1yop s LEU 53 Cb -0.11 -1.89 -0.08 0.00 -0.43 0.00 0.00 46.19 43.68 1yop s LEU 53 CO 0.30 0.12 0.78 -0.04 -0.29 0.00 0.00 176.35 177.21 1yop s MET 54 N 0.71 4.46 0.12 1.98 -1.94 -1.26 -2.59 119.30 120.78 1yop s MET 54 Ca 0.01 1.08 -0.04 0.00 -1.71 0.00 0.00 55.69 55.03 1yop s MET 54 Cb -0.14 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 1yop s MET 54 CO 0.02 0.47 0.12 0.96 -0.01 0.00 0.00 175.02 176.58 1yop s ILE 55 N -1.34 0.12 -0.32 2.53 -5.25 0.26 -3.68 121.20 113.52 1yop s ILE 55 Ca 0.40 -1.67 -0.01 0.00 -0.99 0.00 0.00 60.65 58.38 1yop s ILE 55 Cb -0.20 -1.82 0.07 0.00 2.95 0.00 0.00 42.46 43.46 1yop s ILE 55 CO 0.24 -0.54 0.03 -1.81 -1.79 0.00 0.00 174.94 171.07 1yop s ASP 56 N -2.98 4.87 -0.34 4.36 1.01 -1.14 -1.95 116.67 120.50 1yop s ASP 56 Ca 0.17 -1.54 -0.15 0.00 0.71 0.00 0.00 52.55 51.74 1yop s ASP 56 Cb 0.06 -1.70 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 1yop s ASP 56 CO -0.02 -0.32 0.34 0.54 0.21 0.00 0.00 175.17 175.92 1yop s VAL 57 N 1.16 5.19 -0.12 -1.27 0.11 -1.07 -2.93 120.40 121.47 1yop s VAL 57 Ca -0.01 -0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.73 1yop s VAL 57 Cb -0.20 -3.81 -0.02 0.00 -1.53 0.00 0.00 36.38 30.82 1yop s VAL 57 CO -0.03 -0.09 0.92 0.54 -3.33 0.00 0.00 175.10 173.12 1yop s VAL 58 N 1.95 4.84 0.20 2.04 0.11 -0.73 -4.80 120.40 124.01 1yop s VAL 58 Ca 0.10 1.86 0.01 0.00 -2.93 0.00 0.00 61.98 61.02 1yop s VAL 58 Cb -0.17 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 1yop s VAL 58 CO 0.11 0.04 0.07 0.72 -3.33 0.00 0.00 175.10 172.71 1yop s PHE 59 N 1.91 1.25 0.49 1.54 -0.12 -1.26 -2.24 117.98 119.54 1yop s PHE 59 Ca 0.44 -1.19 0.05 0.00 -0.05 0.00 0.00 56.93 56.19 1yop s PHE 59 Cb -0.18 -0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 41.51 1yop s PHE 59 CO 0.17 -0.40 0.23 0.34 -0.05 0.00 0.00 175.22 175.51 1yop s ASP 60 N -3.19 4.45 -0.26 1.98 2.15 -1.26 -5.07 116.67 115.46 1yop s ASP 60 Ca 0.32 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 52.01 1yop s ASP 60 Cb 0.07 0.15 -0.16 0.00 -0.30 0.00 0.00 42.92 42.67 1yop s ASP 60 CO 0.08 -0.86 -0.24 1.17 -0.17 0.00 0.00 175.17 175.16 1yop n LYS 61 N -1.47 0.64 -0.10 4.34 4.81 -1.26 -4.44 118.16 120.68 1yop n LYS 61 Ca -0.06 0.16 0.04 0.00 -0.87 0.00 0.00 58.31 57.58 1yop n LYS 61 Cb 0.65 -1.51 0.36 0.00 0.02 0.00 0.00 35.03 34.55 1yop n LYS 61 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1yop h GLU 62 N -0.10 0.71 -0.77 1.64 4.57 -2.01 -2.37 114.58 116.25 1yop h GLU 62 Ca -0.59 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 57.66 1yop h GLU 62 Cb 1.86 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 30.22 1yop h GLU 62 CO -0.12 0.47 0.40 0.22 -1.18 0.00 0.00 179.01 178.80 1yop h ASP 63 N 0.73 0.53 0.18 1.04 1.82 -2.00 -1.61 116.42 117.11 1yop h ASP 63 Ca 0.22 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1yop h ASP 63 Cb 0.01 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1yop h ASP 63 CO -0.06 0.29 -0.09 -0.07 -1.61 0.00 0.00 179.24 177.70 1yop h LEU 64 N 0.66 -0.21 -0.86 2.28 4.07 -1.65 0.38 115.31 119.97 1yop h LEU 64 Ca 0.39 -0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.47 1yop h LEU 64 Cb 0.43 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.14 1yop h LEU 64 CO -0.28 -0.14 0.49 0.00 -1.08 0.00 0.00 178.44 177.42 1yop h ALA 65 N 0.56 1.28 -0.19 1.53 0.00 -1.41 -0.10 119.26 120.93 1yop h ALA 65 Ca -0.03 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1yop h ALA 65 Cb 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1yop h ALA 65 CO 0.04 0.04 -0.60 0.93 0.00 0.00 0.00 179.25 179.67 1yop h GLU 66 N 0.75 0.73 -0.48 0.00 4.39 -1.01 -3.20 114.58 115.76 1yop h GLU 66 Ca 0.44 -0.54 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1yop h GLU 66 Cb 0.51 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1yop h GLU 66 CO -0.30 1.16 0.26 1.88 -1.16 0.00 0.00 179.01 180.85 1yop h TYR 67 N 0.45 0.64 0.03 4.33 -1.99 0.63 0.14 116.97 121.20 1yop h TYR 67 Ca -0.02 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.72 1yop h TYR 67 Cb 1.22 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.71 1yop h TYR 67 CO 0.09 0.45 -0.14 1.88 -0.00 0.00 0.00 178.16 180.44 1yop h TYR 68 N 0.67 -0.37 -0.01 4.88 -1.99 -1.04 0.19 116.97 119.30 1yop h TYR 68 Ca 0.17 0.01 -0.21 0.00 2.00 0.00 0.00 58.73 60.70 1yop h TYR 68 Cb 0.02 0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 1yop h TYR 68 CO 0.00 -0.21 -0.90 1.49 -0.00 0.00 0.00 178.16 178.54 1yop h GLU 69 N -0.25 0.37 -0.21 4.88 4.81 -1.58 -3.29 114.58 119.31 1yop h GLU 69 Ca 0.04 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1yop h GLU 69 Cb 0.30 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1yop h GLU 69 CO -0.12 1.06 0.13 0.93 -0.73 0.00 0.00 179.01 180.28 1yop h GLU 70 N 0.22 0.29 -6.94 1.92 4.39 -0.48 -3.43 114.58 110.54 1yop h GLU 70 Ca -0.07 -0.03 -0.46 0.00 0.34 0.00 0.00 59.36 59.15 1yop h GLU 70 Cb 1.53 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.09 1yop h GLU 70 CO 0.15 0.24 0.26 0.00 -1.16 0.00 0.00 179.01 178.50 1yop s ALA 71 N -5.98 3.14 -0.38 3.43 0.00 0.65 -4.97 121.76 117.64 1yop s ALA 71 Ca -0.13 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1yop s ALA 71 Cb 0.08 -3.03 0.50 0.00 0.00 0.00 0.00 23.12 20.68 1yop s ALA 71 CO 0.70 0.20 1.77 0.41 0.00 0.00 0.00 175.76 178.83 1yop n GLY 72 N -0.51 4.13 3.72 0.00 0.00 -1.26 -4.85 105.19 106.42 1yop n GLY 72 Ca 0.06 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1yop n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yop s ILE 73 N -2.76 2.50 -0.55 -0.61 -5.25 -1.26 -4.98 121.20 108.29 1yop s ILE 73 Ca 0.46 0.36 0.04 0.00 -0.99 0.00 0.00 60.65 60.52 1yop s ILE 73 Cb 0.38 -3.23 0.14 0.00 2.95 0.00 0.00 42.46 42.69 1yop s ILE 73 CO 0.07 0.03 0.30 -2.28 -1.79 0.00 0.00 174.94 171.27 1yop s HIS 74 N 1.04 3.20 0.65 1.37 2.46 -1.26 -5.09 115.29 117.66 1yop s HIS 74 Ca 0.70 -3.18 -0.17 0.00 0.47 0.00 0.00 55.06 52.88 1yop s HIS 74 Cb -0.45 -2.77 -0.04 0.00 -0.13 0.00 0.00 32.58 29.19 1yop s HIS 74 CO 0.33 -0.71 0.81 -2.30 -2.47 0.00 0.00 174.74 170.40 1yop n PRO 75 N 2.93 0.63 -2.03 2.88 -0.02 -1.26 -4.86 135.00 133.28 1yop n PRO 75 Ca 0.07 0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 1yop n PRO 75 Cb 0.33 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1yop n PRO 75 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yop s PRO 76 N -2.78 2.70 -0.38 0.52 0.04 -1.26 -4.90 135.00 128.94 1yop s PRO 76 Ca 0.73 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1yop s PRO 76 Cb -0.39 -4.37 0.16 0.00 0.04 0.00 0.00 34.50 29.94 1yop s PRO 76 CO 0.50 -2.64 0.37 -1.21 0.04 0.00 0.00 177.00 174.06 1yop s GLU 77 N 6.90 0.68 0.75 4.56 2.02 -1.26 -5.15 118.70 127.19 1yop s GLU 77 Ca 0.69 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.46 1yop s GLU 77 Cb -0.14 -0.84 0.02 0.00 0.10 0.00 0.00 34.13 33.27 1yop s GLU 77 CO 0.22 -1.23 0.96 -2.30 0.02 0.00 0.00 175.26 172.94 1yop n PRO 78 N 4.00 0.40 -1.46 0.39 -0.02 -1.26 -4.98 135.00 132.07 1yop n PRO 78 Ca 0.14 0.20 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 1yop n PRO 78 Cb 0.45 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.69 0.40 -3.64 4.25 -5.35 -1.26 -5.07 119.36 106.00 1yop n ILE 79 Ca 0.13 -1.45 -0.06 0.00 -0.27 0.00 0.00 62.75 61.09 1yop n ILE 79 Cb 0.50 0.83 -0.07 0.00 -1.74 0.00 0.00 39.64 39.16 1yop n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yop s ALA 80 N -0.70 -1.96 -0.12 -1.28 0.00 -1.26 -5.05 121.76 111.38 1yop s ALA 80 Ca 0.34 2.35 0.21 0.00 0.00 0.00 0.00 51.96 54.86 1yop s ALA 80 Cb 0.38 -1.48 0.41 0.00 0.00 0.00 0.00 23.12 22.44 1yop s ALA 80 CO -0.15 -0.37 1.16 0.00 0.00 0.00 0.00 175.76 176.41 1yop n ALA 81 N 4.06 2.64 0.12 0.00 0.00 -1.26 -4.94 120.51 121.13 1yop n ALA 81 Ca -0.19 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1yop n ALA 81 Cb 0.58 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1yop n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop n ALA 82 N -0.13 2.93 0.67 0.00 0.00 -1.26 -5.34 120.51 117.38 1yop n ALA 82 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1yop n ALA 82 Cb 0.95 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.47 1yop n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50