#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 1.30 -0.13 2.03 -7.23 -1.26 -5.05 120.40 110.07 1yop s VAL 2 Ca 0.00 -1.21 0.24 0.00 -1.81 0.00 0.00 61.98 59.19 1yop s VAL 2 Cb 0.00 -1.19 0.46 0.00 0.56 0.00 0.00 36.38 36.21 1yop s VAL 2 CO 0.00 -0.04 1.15 -1.54 -0.31 0.00 0.00 175.10 174.35 1yop n SER 3 N 1.57 1.18 -4.99 4.85 3.41 -1.26 -5.11 113.62 113.27 1yop n SER 3 Ca -0.19 -2.01 -0.18 0.00 -0.26 0.00 0.00 58.87 56.22 1yop n SER 3 Cb 0.54 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.77 2.74 -0.19 6.66 -4.23 -1.26 -4.96 115.64 112.62 1yop s THR 4 Ca 0.30 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1yop s THR 4 Cb 0.35 -2.81 -0.16 0.00 1.34 0.00 0.00 72.50 71.22 1yop s THR 4 CO -0.11 0.00 -0.10 -1.22 -0.54 0.00 0.00 174.62 172.66 1yop n TYR 5 N -1.87 0.00 -3.87 3.99 4.01 -1.25 -5.08 117.16 113.09 1yop n TYR 5 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.75 1yop n TYR 5 Cb 0.60 -0.82 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 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 -5.68 -0.18 -0.01 7.72 2.15 -1.26 -5.15 116.67 114.27 1yop s ASP 6 Ca -0.21 -0.74 0.05 0.00 0.43 0.00 0.00 52.55 52.08 1yop s ASP 6 Cb 0.06 0.73 -0.01 0.00 -0.30 0.00 0.00 42.92 43.40 1yop s ASP 6 CO 0.56 -1.37 -0.16 -1.61 -0.17 0.00 0.00 175.17 172.42 1yop s GLU 7 N -3.68 1.30 0.22 4.34 8.01 -1.26 -3.32 118.70 124.31 1yop s GLU 7 Ca 0.13 -0.60 0.11 0.00 0.01 0.00 0.00 54.97 54.62 1yop s GLU 7 Cb -0.05 -1.26 -0.05 0.00 -4.31 0.00 0.00 34.13 28.46 1yop s GLU 7 CO 0.08 0.34 -0.22 0.42 0.01 0.00 0.00 175.26 175.89 1yop s ILE 8 N -0.42 2.34 0.28 -1.63 -1.09 -1.19 -5.00 121.20 114.49 1yop s ILE 8 Ca 0.06 -2.13 0.12 0.00 -2.23 0.00 0.00 60.65 56.47 1yop s ILE 8 Cb -0.06 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.61 1yop s ILE 8 CO -0.00 -0.22 -0.19 -1.61 -1.23 0.00 0.00 174.94 171.69 1yop s GLU 9 N -2.93 1.71 0.39 2.79 2.02 -1.26 0.57 118.70 121.99 1yop s GLU 9 Ca 0.23 -1.74 0.11 0.00 0.02 0.00 0.00 54.97 53.59 1yop s GLU 9 Cb -0.07 -1.79 0.80 0.00 0.10 0.00 0.00 34.13 33.17 1yop s GLU 9 CO 0.11 0.33 1.89 0.97 0.02 0.00 0.00 175.26 178.59 1yop h ILE 10 N 2.28 1.20 -0.77 -1.63 2.10 -1.72 -2.92 117.51 116.04 1yop h ILE 10 Ca -0.40 -0.94 0.01 0.00 1.08 0.00 0.00 64.86 64.61 1yop h ILE 10 Cb 1.26 1.42 -0.04 0.00 -1.09 0.00 0.00 36.82 38.37 1yop h ILE 10 CO 0.60 0.28 0.51 -0.33 -1.08 0.00 0.00 178.15 178.13 1yop h GLU 11 N 0.10 1.02 -1.07 2.19 4.39 -1.96 -2.45 114.58 116.80 1yop h GLU 11 Ca 0.02 -0.06 -0.57 0.00 0.34 0.00 0.00 59.36 59.08 1yop h GLU 11 Cb 0.48 -0.23 -0.27 0.00 -0.10 0.00 0.00 28.75 28.63 1yop h GLU 11 CO 0.03 0.68 0.74 -0.40 -1.16 0.00 0.00 179.01 178.90 1yop n ASP 12 N -4.54 6.37 -4.47 1.42 5.75 -1.11 -4.93 116.55 115.04 1yop n ASP 12 Ca 0.08 -3.60 -0.33 0.00 -0.01 0.00 0.00 54.79 50.93 1yop n ASP 12 Cb 0.02 -0.94 -0.13 0.00 -1.03 0.00 0.00 41.12 39.03 1yop n ASP 12 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1yop s MET 13 N -3.32 2.50 -0.87 0.11 1.75 -0.92 -4.85 119.30 113.69 1yop s MET 13 Ca 0.57 -0.71 -0.25 0.00 -1.25 0.00 0.00 55.69 54.05 1yop s MET 13 Cb 0.45 -2.37 -0.08 0.00 2.84 0.00 0.00 34.83 35.68 1yop s MET 13 CO 0.02 0.61 2.09 0.99 -0.65 0.00 0.00 175.02 178.08 1yop s THR 14 N -0.70 3.32 -0.05 10.11 2.01 0.20 -4.90 115.64 125.62 1yop s THR 14 Ca 0.11 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1yop s THR 14 Cb -0.11 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1yop s THR 14 CO 0.01 -0.67 0.99 0.72 -0.69 0.00 0.00 174.62 174.97 1yop s PHE 15 N 11.54 3.58 -0.60 4.92 -0.71 -1.26 -0.69 117.98 134.77 1yop s PHE 15 Ca 0.77 1.63 -0.06 0.00 -1.04 0.00 0.00 56.93 58.23 1yop s PHE 15 Cb -0.08 -3.14 0.15 0.00 -1.21 0.00 0.00 43.02 38.74 1yop s PHE 15 CO 0.02 -0.11 0.44 -1.21 -1.34 0.00 0.00 175.22 173.02 1yop s GLU 16 N 1.50 2.65 -0.90 1.99 2.02 0.16 -4.99 118.70 121.13 1yop s GLU 16 Ca 0.50 -2.25 -0.13 0.00 0.02 0.00 0.00 54.97 53.11 1yop s GLU 16 Cb -0.20 -3.88 -0.09 0.00 0.10 0.00 0.00 34.13 30.06 1yop s GLU 16 CO 0.23 -1.19 2.06 -0.35 0.02 0.00 0.00 175.26 176.03 1yop n PRO 17 N 4.05 1.92 0.00 0.39 -0.04 -1.26 -3.41 135.00 136.65 1yop n PRO 17 Ca 0.04 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1yop n PRO 17 Cb 0.40 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 5.47 0.00 -0.75 0.54 0.28 -1.26 -4.93 120.64 119.99 1yop n GLU 18 Ca 0.48 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.51 1yop n GLU 18 Cb 0.26 -0.20 0.05 0.00 1.43 0.00 0.00 31.44 32.98 1yop n GLU 18 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1yop n ASN 19 N -2.09 0.86 -3.38 -1.84 0.23 -1.24 -4.74 115.26 103.07 1yop n ASN 19 Ca 0.00 -2.38 -0.18 0.00 -0.53 0.00 0.00 54.58 51.49 1yop n ASN 19 Cb 0.00 -0.30 0.08 0.00 -2.08 0.00 0.00 39.78 37.48 1yop n ASN 19 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1yop n GLN 20 N -0.20 -6.76 -4.73 -3.83 7.27 -1.24 -4.99 117.38 102.90 1yop n GLN 20 Ca 0.06 0.81 -0.32 0.00 0.07 0.00 0.00 57.00 57.63 1yop n GLN 20 Cb 0.83 -5.74 -0.13 0.00 2.41 0.00 0.00 30.24 27.61 1yop n GLN 20 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1yop s MET 21 N -5.59 2.29 -0.28 3.69 1.75 -1.22 -3.17 119.30 116.78 1yop s MET 21 Ca 0.17 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 1yop s MET 21 Cb -0.07 -2.30 0.08 0.00 2.84 0.00 0.00 34.83 35.38 1yop s MET 21 CO 0.70 0.58 0.03 -0.06 -0.65 0.00 0.00 175.02 175.62 1yop s PHE 22 N -0.86 2.25 0.56 4.11 0.40 -0.71 -0.67 117.98 123.07 1yop s PHE 22 Ca 0.14 -1.89 0.06 0.00 -0.60 0.00 0.00 56.93 54.64 1yop s PHE 22 Cb -0.11 -1.83 0.05 0.00 0.51 0.00 0.00 43.02 41.65 1yop s PHE 22 CO 0.04 -0.83 0.49 0.95 0.70 0.00 0.00 175.22 176.57 1yop s THR 23 N 1.43 1.68 -0.29 0.64 -4.23 0.13 -1.43 115.64 113.58 1yop s THR 23 Ca 0.04 -1.39 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 1yop s THR 23 Cb -0.18 -2.07 0.16 0.00 1.34 0.00 0.00 72.50 71.75 1yop s THR 23 CO -0.14 0.00 1.16 -0.47 -0.54 0.00 0.00 174.62 174.63 1yop s TYR 24 N -2.77 -0.32 -0.36 3.99 6.14 -0.86 0.59 117.35 123.76 1yop s TYR 24 Ca 0.39 0.70 -0.28 0.00 0.64 0.00 0.00 57.07 58.52 1yop s TYR 24 Cb -0.03 0.33 -0.02 0.00 0.42 0.00 0.00 41.96 42.65 1yop s TYR 24 CO 0.24 -0.16 1.89 -1.25 0.64 0.00 0.00 175.55 176.92 1yop s PRO 25 N 0.65 3.15 0.31 4.97 0.04 -1.26 0.87 135.00 143.73 1yop s PRO 25 Ca -0.01 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1yop s PRO 25 Cb -0.04 -4.26 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 1yop s PRO 25 CO -0.12 -2.07 1.24 0.00 0.04 0.00 0.00 177.00 176.09 1yop h PRO 27 N 3.64 0.00 -0.32 0.00 0.11 -1.93 -0.34 132.00 133.16 1yop h PRO 27 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1yop h PRO 27 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yop h PRO 27 CO 0.67 0.00 -0.43 0.00 -0.21 0.00 0.00 178.00 178.02 1yop n GLY 29 N 0.15 3.03 1.60 0.00 0.00 -0.14 -5.06 105.19 104.77 1yop n GLY 29 Ca -0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.99 1.61 2.03 -1.26 -4.66 116.55 108.93 1yop n ASP 30 Ca 0.00 -0.84 -0.28 0.00 0.52 0.00 0.00 54.79 54.19 1yop n ASP 30 Cb 0.00 -0.46 -0.17 0.00 -0.72 0.00 0.00 41.12 39.78 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 -4.14 1.93 0.74 -0.67 3.52 -1.26 0.04 118.95 119.10 1yop s ARG 31 Ca 0.32 -0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.34 1yop s ARG 31 Cb -0.03 -1.79 0.04 0.00 -1.56 0.00 0.00 34.95 31.61 1yop s ARG 31 CO 0.25 -0.18 1.21 -0.06 -0.81 0.00 0.00 175.30 175.71 1yop s PHE 32 N 1.36 2.00 -0.08 5.12 0.08 0.25 -4.76 117.98 121.97 1yop s PHE 32 Ca 0.00 1.60 -0.03 0.00 0.12 0.00 0.00 56.93 58.62 1yop s PHE 32 Cb -0.14 -3.49 0.04 0.00 -0.57 0.00 0.00 43.02 38.86 1yop s PHE 32 CO -0.06 -2.69 0.15 -0.65 -0.10 0.00 0.00 175.22 171.87 1yop s GLN 33 N -3.91 0.03 -0.18 0.44 -0.21 -1.26 -2.03 119.66 112.54 1yop s GLN 33 Ca 0.75 0.50 -0.07 0.00 0.02 0.00 0.00 55.36 56.56 1yop s GLN 33 Cb -0.30 -0.28 0.08 0.00 1.00 0.00 0.00 33.01 33.51 1yop s GLN 33 CO 0.46 -0.28 0.39 -1.50 -2.12 0.00 0.00 175.29 172.24 1yop s ILE 34 N 2.05 -0.43 0.57 1.08 2.07 -0.51 -5.01 121.20 121.02 1yop s ILE 34 Ca 0.01 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.30 1yop s ILE 34 Cb -0.12 -0.62 -0.05 0.00 0.13 0.00 0.00 42.46 41.81 1yop s ILE 34 CO -0.05 0.07 0.97 -0.31 -1.91 0.00 0.00 174.94 173.70 1yop s TYR 35 N 2.21 3.58 0.27 3.50 1.51 -1.26 -1.73 117.35 125.42 1yop s TYR 35 Ca -0.04 1.23 -0.04 0.00 -1.01 0.00 0.00 57.07 57.21 1yop s TYR 35 Cb -0.11 -2.65 0.35 0.00 -0.11 0.00 0.00 41.96 39.44 1yop s TYR 35 CO -0.12 -0.54 1.93 -0.07 -1.11 0.00 0.00 175.55 175.65 1yop h LEU 36 N 0.06 1.07 -0.75 -1.29 -0.00 -1.93 -2.28 115.31 110.20 1yop h LEU 36 Ca -0.45 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.42 1yop h LEU 36 Cb 1.19 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.55 1yop h LEU 36 CO 0.62 0.76 0.49 -2.24 -0.00 0.00 0.00 178.44 178.07 1yop h ASP 37 N 1.26 0.85 -0.43 -0.43 3.04 -1.93 -1.79 116.42 116.98 1yop h ASP 37 Ca 0.36 -0.02 0.02 0.00 -3.24 0.00 0.00 57.03 54.15 1yop h ASP 37 Cb -0.09 -0.21 -0.03 0.00 -1.04 0.00 0.00 39.33 37.96 1yop h ASP 37 CO -0.09 0.61 0.25 0.44 -2.04 0.00 0.00 179.24 178.41 1yop h ASP 38 N 1.00 0.39 -0.51 4.15 3.32 -1.80 -1.96 116.42 121.02 1yop h ASP 38 Ca 0.28 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1yop h ASP 38 Cb -0.09 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1yop h ASP 38 CO -0.07 0.28 0.28 0.24 -1.72 0.00 0.00 179.24 178.26 1yop h MET 39 N 0.50 0.73 -0.60 3.56 2.86 -1.17 -2.65 114.93 118.16 1yop h MET 39 Ca 0.17 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 1yop h MET 39 Cb 0.03 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.47 1yop h MET 39 CO -0.09 0.55 0.24 0.35 1.06 0.00 0.00 176.91 179.02 1yop h PHE 40 N 0.74 0.42 -0.32 -0.22 3.04 -0.53 -2.23 116.94 117.84 1yop h PHE 40 Ca 0.19 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1yop h PHE 40 Cb 0.03 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1yop h PHE 40 CO 0.00 0.13 0.18 0.93 -2.02 0.00 0.00 178.31 177.53 1yop h GLU 41 N 0.43 0.45 0.00 1.11 5.08 -1.36 -3.47 114.58 116.83 1yop h GLU 41 Ca 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1yop h GLU 41 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1yop h GLU 41 CO -0.28 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 1yop n GLY 42 N -0.99 0.28 3.21 -3.84 0.00 -0.84 -5.11 105.19 97.90 1yop n GLY 42 Ca -0.01 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 2.75 -0.15 1.61 8.01 -1.23 -4.84 118.70 124.85 1yop s GLU 43 Ca 0.00 -2.08 0.09 0.00 0.01 0.00 0.00 54.97 53.00 1yop s GLU 43 Cb 0.00 -4.01 -0.16 0.00 -4.31 0.00 0.00 34.13 25.65 1yop s GLU 43 CO 0.00 -1.22 -0.01 0.36 0.01 0.00 0.00 175.26 174.40 1yop n LYS 44 N 4.42 1.30 -2.44 1.61 2.85 -1.26 -4.72 118.16 119.92 1yop n LYS 44 Ca -0.00 0.03 -0.43 0.00 -1.05 0.00 0.00 58.31 56.85 1yop n LYS 44 Cb 0.41 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 1yop n LYS 44 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1yop n VAL 45 N -2.68 4.13 -2.82 0.58 3.14 -1.25 -1.09 118.33 118.34 1yop n VAL 45 Ca -0.26 -4.24 -0.40 0.00 -2.96 0.00 0.00 64.34 56.48 1yop n VAL 45 Cb 0.93 -2.43 -0.05 0.00 -1.06 0.00 0.00 33.84 31.24 1yop n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yop s ALA 46 N 1.62 3.31 -0.19 1.55 0.00 -1.01 -4.85 121.76 122.20 1yop s ALA 46 Ca 0.43 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 1yop s ALA 46 Cb 0.06 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1yop s ALA 46 CO -0.00 0.08 -0.03 0.14 0.00 0.00 0.00 175.76 175.95 1yop s VAL 47 N -0.38 3.75 0.23 0.00 -7.23 -1.26 -3.17 120.40 112.33 1yop s VAL 47 Ca 0.43 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 1yop s VAL 47 Cb -0.23 -2.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.94 1yop s VAL 47 CO 0.28 0.45 1.32 0.00 -0.31 0.00 0.00 175.10 176.84 1yop n PRO 49 N 2.22 1.78 0.07 0.00 -0.04 -1.26 -1.80 135.00 135.97 1yop n PRO 49 Ca 0.05 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1yop n PRO 49 Cb 0.42 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.13 0.42 0.02 3.54 2.88 -1.26 -4.89 113.62 114.47 1yop n SER 50 Ca 0.06 0.23 0.06 0.00 -1.33 0.00 0.00 58.87 57.89 1yop n SER 50 Cb 0.47 -0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.56 -4.38 -4.78 0.00 2.88 -0.75 -5.01 113.62 99.02 1yop n SER 52 Ca -0.08 -0.34 -0.37 0.00 -1.33 0.00 0.00 58.87 56.75 1yop n SER 52 Cb 0.70 -3.34 -0.07 0.00 -0.75 0.00 0.00 64.21 60.76 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 -4.91 4.33 -0.02 2.46 2.96 -1.26 -4.82 118.68 117.43 1yop s LEU 53 Ca 0.32 0.65 -0.24 0.00 -0.22 0.00 0.00 54.13 54.64 1yop s LEU 53 Cb -0.14 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1yop s LEU 53 CO 0.45 0.20 0.72 -0.04 -1.32 0.00 0.00 176.35 176.36 1yop s MET 54 N -0.17 4.44 -0.03 1.98 -1.94 -1.26 -3.41 119.30 118.91 1yop s MET 54 Ca 0.19 0.94 -0.03 0.00 -1.71 0.00 0.00 55.69 55.08 1yop s MET 54 Cb -0.14 -3.40 0.01 0.00 2.01 0.00 0.00 34.83 33.31 1yop s MET 54 CO 0.07 0.18 0.08 0.96 -0.01 0.00 0.00 175.02 176.30 1yop s ILE 55 N 0.36 -0.00 -0.59 2.53 -5.25 -1.19 -3.79 121.20 113.26 1yop s ILE 55 Ca 0.37 0.01 -0.13 0.00 -0.99 0.00 0.00 60.65 59.91 1yop s ILE 55 Cb -0.19 -0.12 0.15 0.00 2.95 0.00 0.00 42.46 45.25 1yop s ILE 55 CO 0.20 0.00 0.53 -1.81 -1.79 0.00 0.00 174.94 172.07 1yop s ASP 56 N 0.08 6.17 0.09 4.36 1.01 -1.21 -2.40 116.67 124.77 1yop s ASP 56 Ca -0.00 -2.07 -0.23 0.00 0.71 0.00 0.00 52.55 50.95 1yop s ASP 56 Cb -0.01 -2.15 -0.07 0.00 1.01 0.00 0.00 42.92 41.70 1yop s ASP 56 CO -0.00 -0.74 0.69 0.54 0.21 0.00 0.00 175.17 175.87 1yop s VAL 57 N 1.14 4.63 -0.15 -1.27 0.11 -0.25 -3.15 120.40 121.46 1yop s VAL 57 Ca 0.08 1.48 -0.06 0.00 -2.93 0.00 0.00 61.98 60.56 1yop s VAL 57 Cb -0.24 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 1yop s VAL 57 CO -0.01 0.48 0.04 0.54 -3.33 0.00 0.00 175.10 172.82 1yop s VAL 58 N -0.75 4.61 0.37 2.04 0.11 0.19 -4.60 120.40 122.38 1yop s VAL 58 Ca 0.34 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1yop s VAL 58 Cb -0.21 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.58 1yop s VAL 58 CO 0.22 0.51 0.15 0.72 -3.33 0.00 0.00 175.10 173.37 1yop s PHE 59 N -0.06 1.74 0.09 1.54 -0.12 -1.26 -1.67 117.98 118.24 1yop s PHE 59 Ca 0.05 -1.32 0.09 0.00 -0.05 0.00 0.00 56.93 55.70 1yop s PHE 59 Cb -0.12 -1.04 -0.03 0.00 -0.63 0.00 0.00 43.02 41.19 1yop s PHE 59 CO 0.01 -0.39 -0.24 0.34 -0.05 0.00 0.00 175.22 174.89 1yop s ASP 60 N -3.51 2.90 -0.02 1.98 -1.08 -1.26 -5.02 116.67 110.67 1yop s ASP 60 Ca 0.30 -0.65 -0.11 0.00 -0.52 0.00 0.00 52.55 51.57 1yop s ASP 60 Cb 0.04 -0.21 -0.31 0.00 -1.46 0.00 0.00 42.92 40.97 1yop s ASP 60 CO 0.17 0.16 0.80 0.50 0.52 0.00 0.00 175.17 177.32 1yop h LYS 61 N 4.34 0.40 -0.78 4.34 3.64 -1.99 -3.13 116.57 123.39 1yop h LYS 61 Ca -0.47 -0.69 0.01 0.00 -1.27 0.00 0.00 60.65 58.23 1yop h LYS 61 Cb 1.16 0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 1yop h LYS 61 CO 0.41 1.31 0.52 0.93 -2.27 0.00 0.00 179.45 180.35 1yop h GLU 62 N 0.11 1.03 -0.40 1.90 5.08 -1.99 -1.54 114.58 118.77 1yop h GLU 62 Ca -0.30 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1yop h GLU 62 Cb 2.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 1yop h GLU 62 CO 0.20 0.68 0.10 -0.44 -1.00 0.00 0.00 179.01 178.55 1yop h ASP 63 N 1.06 0.61 -0.67 1.42 3.32 -1.99 -1.58 116.42 118.58 1yop h ASP 63 Ca 0.29 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1yop h ASP 63 Cb -0.12 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1yop h ASP 63 CO -0.06 0.68 0.41 0.25 -1.72 0.00 0.00 179.24 178.80 1yop h LEU 64 N 0.50 0.66 -0.62 1.55 6.46 -1.40 0.77 115.31 123.23 1yop h LEU 64 Ca 0.13 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1yop h LEU 64 Cb 0.31 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1yop h LEU 64 CO 0.00 0.45 0.11 0.00 -0.62 0.00 0.00 178.44 178.38 1yop h ALA 65 N 1.30 0.82 -0.14 1.25 0.00 -1.14 -1.36 119.26 119.99 1yop h ALA 65 Ca 0.28 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1yop h ALA 65 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1yop h ALA 65 CO -0.12 0.58 -0.41 1.49 0.00 0.00 0.00 179.25 180.78 1yop h GLU 66 N 0.93 0.53 -0.56 0.00 4.57 -0.72 -3.25 114.58 116.08 1yop h GLU 66 Ca 0.19 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1yop h GLU 66 Cb 0.42 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1yop h GLU 66 CO 0.01 1.00 0.22 -0.92 -1.18 0.00 0.00 179.01 178.14 1yop h TYR 67 N 0.15 0.81 -0.89 0.92 5.03 0.60 0.45 116.97 124.03 1yop h TYR 67 Ca -0.01 -0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.28 1yop h TYR 67 Cb 1.03 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 39.01 1yop h TYR 67 CO 0.10 0.63 0.59 -0.92 -1.32 0.00 0.00 178.16 177.24 1yop h TYR 68 N 0.80 1.10 0.15 -3.82 5.03 -1.28 0.56 116.97 119.50 1yop h TYR 68 Ca 0.19 0.03 -0.34 0.00 2.58 0.00 0.00 58.73 61.18 1yop h TYR 68 Cb 0.16 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 38.07 1yop h TYR 68 CO 0.01 0.67 -1.77 1.49 -1.32 0.00 0.00 178.16 177.24 1yop h GLU 69 N 1.16 0.32 -0.38 1.82 4.57 -1.49 -3.18 114.58 117.40 1yop h GLU 69 Ca 0.34 -0.54 -0.14 0.00 -1.18 0.00 0.00 59.36 57.84 1yop h GLU 69 Cb -0.07 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1yop h GLU 69 CO -0.09 1.21 -0.33 0.93 -1.18 0.00 0.00 179.01 179.55 1yop h GLU 70 N 0.09 0.86 -0.09 1.92 5.08 0.08 -3.26 114.58 119.26 1yop h GLU 70 Ca -0.34 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.55 1yop h GLU 70 Cb 2.06 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 1yop h GLU 70 CO 0.15 1.06 -0.15 0.00 -1.00 0.00 0.00 179.01 179.07 1yop h ALA 71 N 0.90 0.14 -5.72 3.43 0.00 -0.04 -3.48 119.26 114.50 1yop h ALA 71 Ca 0.07 -0.34 -0.38 0.00 0.00 0.00 0.00 54.91 54.26 1yop h ALA 71 Cb 0.90 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.81 1yop h ALA 71 CO 0.08 0.04 -0.68 0.41 0.00 0.00 0.00 179.25 179.10 1yop n GLY 72 N 0.36 -0.48 0.24 0.00 0.00 -1.20 -4.90 105.19 99.22 1yop n GLY 72 Ca -0.07 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.51 1.15 0.34 -0.61 3.07 -1.85 -3.21 117.51 113.89 1yop h ILE 73 Ca -0.56 -0.63 -0.02 0.00 1.55 0.00 0.00 64.86 65.20 1yop h ILE 73 Cb 1.36 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1yop h ILE 73 CO 0.54 0.20 -0.16 0.45 -1.05 0.00 0.00 178.15 178.12 1yop h HIS 74 N 0.18 -0.42 -3.16 0.16 3.86 -1.91 -3.43 115.15 110.43 1yop h HIS 74 Ca 0.04 -0.01 -0.57 0.00 -1.16 0.00 0.00 60.37 58.67 1yop h HIS 74 Cb 0.29 0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 1yop h HIS 74 CO 0.00 -0.24 1.10 -1.25 0.86 0.00 0.00 177.93 178.40 1yop s PRO 75 N -3.09 3.58 -0.19 2.45 0.04 -1.21 -4.98 135.00 131.60 1yop s PRO 75 Ca -0.07 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 1yop s PRO 75 Cb 0.01 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 1yop s PRO 75 CO 0.22 -1.56 1.54 -1.25 0.04 0.00 0.00 177.00 175.99 1yop s PRO 76 N 4.97 3.95 0.38 0.56 0.04 -1.26 -4.78 135.00 138.85 1yop s PRO 76 Ca 0.64 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1yop s PRO 76 Cb -0.16 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1yop s PRO 76 CO 0.32 -1.10 0.00 0.39 0.04 0.00 0.00 177.00 176.65 1yop n GLU 77 N 7.37 -2.14 -1.66 4.56 1.02 -1.26 -4.80 120.64 123.73 1yop n GLU 77 Ca 0.17 1.70 -0.48 0.00 -0.02 0.00 0.00 57.16 58.54 1yop n GLU 77 Cb 0.45 -2.51 -0.05 0.00 -0.02 0.00 0.00 31.44 29.31 1yop n GLU 77 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1yop n PRO 78 N -3.59 1.97 -4.25 3.49 -0.02 -1.26 -5.00 135.00 126.34 1yop n PRO 78 Ca -0.05 0.71 -0.22 0.00 -2.02 0.00 0.00 63.50 61.92 1yop n PRO 78 Cb 0.45 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 1yop n PRO 78 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1yop s ILE 79 N 1.67 1.52 0.26 4.25 2.07 -1.26 -5.16 121.20 124.55 1yop s ILE 79 Ca 0.84 -1.49 -0.12 0.00 -1.41 0.00 0.00 60.65 58.47 1yop s ILE 79 Cb -0.74 -1.42 -0.00 0.00 0.13 0.00 0.00 42.46 40.43 1yop s ILE 79 CO 0.43 -0.13 0.49 0.00 -1.91 0.00 0.00 174.94 173.83 1yop s ALA 80 N -1.25 -0.19 -0.25 1.50 0.00 -1.26 -5.16 121.76 115.15 1yop s ALA 80 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1yop s ALA 80 Cb -0.10 1.06 0.12 0.00 0.00 0.00 0.00 23.12 24.21 1yop s ALA 80 CO 0.04 -0.86 0.29 0.00 0.00 0.00 0.00 175.76 175.23 1yop s ALA 81 N -3.90 -0.57 -0.05 0.00 0.00 -1.26 -5.14 121.76 110.84 1yop s ALA 81 Ca 0.23 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1yop s ALA 81 Cb -0.01 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1yop s ALA 81 CO 0.10 -1.45 -0.04 0.00 0.00 0.00 0.00 175.76 174.37 1yop s ALA 82 N 2.40 0.72 -2.97 0.00 0.00 -1.26 -5.40 121.76 115.25 1yop s ALA 82 Ca 0.09 -0.10 0.24 0.00 0.00 0.00 0.00 51.96 52.19 1yop s ALA 82 Cb -0.15 -0.52 0.19 0.00 0.00 0.00 0.00 23.12 22.64 1yop s ALA 82 CO -0.22 -0.13 1.25 0.00 0.00 0.00 0.00 175.76 176.65