#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 0.38 -0.14 3.17 -7.23 -1.26 -5.07 120.40 110.25 1yop s VAL 2 Ca 0.00 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.34 1yop s VAL 2 Cb 0.00 -2.59 0.43 0.00 0.56 0.00 0.00 36.38 34.79 1yop s VAL 2 CO 0.00 0.00 1.19 -1.20 -0.31 0.00 0.00 175.10 174.78 1yop n SER 3 N -0.48 1.66 -4.88 4.85 7.64 -1.26 -5.08 113.62 116.08 1yop n SER 3 Ca 0.01 -3.03 -0.32 0.00 1.01 0.00 0.00 58.87 56.53 1yop n SER 3 Cb 0.66 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 1yop n SER 3 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1yop s THR 4 N -2.11 4.98 -0.17 0.44 -4.23 -1.26 -3.68 115.64 109.61 1yop s THR 4 Ca 0.37 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 1yop s THR 4 Cb 0.38 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 1yop s THR 4 CO -0.10 -0.06 -0.20 -1.22 -0.54 0.00 0.00 174.62 172.51 1yop n TYR 5 N -0.11 0.00 -4.03 3.99 4.02 -1.11 -5.01 117.16 114.90 1yop n TYR 5 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1yop n TYR 5 Cb 0.52 -0.61 -0.04 0.00 -0.02 0.00 0.00 39.34 39.19 1yop n TYR 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1yop s ASP 6 N -6.28 0.37 -0.16 7.72 1.01 -1.26 -5.13 116.67 112.95 1yop s ASP 6 Ca -0.23 -1.22 0.01 0.00 0.71 0.00 0.00 52.55 51.82 1yop s ASP 6 Cb 0.08 0.64 0.02 0.00 1.01 0.00 0.00 42.92 44.67 1yop s ASP 6 CO 0.31 -1.25 -0.18 -1.61 0.21 0.00 0.00 175.17 172.65 1yop s GLU 7 N -3.43 2.75 0.15 8.23 2.02 -1.26 -3.01 118.70 124.14 1yop s GLU 7 Ca 0.26 -0.74 0.09 0.00 0.02 0.00 0.00 54.97 54.60 1yop s GLU 7 Cb -0.01 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 1yop s GLU 7 CO 0.14 -0.19 -0.13 0.42 0.02 0.00 0.00 175.26 175.52 1yop s ILE 8 N 1.29 3.06 -0.05 -1.63 1.09 -0.36 -4.99 121.20 119.62 1yop s ILE 8 Ca 0.03 -1.56 -0.06 0.00 -1.10 0.00 0.00 60.65 57.97 1yop s ILE 8 Cb -0.13 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 1yop s ILE 8 CO -0.11 0.00 0.19 -1.61 -0.10 0.00 0.00 174.94 173.31 1yop s GLU 9 N -2.47 3.49 0.53 2.79 2.02 -1.26 -2.66 118.70 121.13 1yop s GLU 9 Ca 0.22 -0.16 0.19 0.00 0.02 0.00 0.00 54.97 55.23 1yop s GLU 9 Cb -0.10 -3.14 1.35 0.00 0.10 0.00 0.00 34.13 32.35 1yop s GLU 9 CO 0.13 0.71 2.14 0.97 0.02 0.00 0.00 175.26 179.23 1yop h ILE 10 N 3.38 0.91 0.00 -1.63 6.09 -1.89 -1.42 117.51 122.95 1yop h ILE 10 Ca -0.52 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1yop h ILE 10 Cb 1.21 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.46 1yop h ILE 10 CO 0.64 0.00 -0.03 1.05 -3.07 0.00 0.00 178.15 176.74 1yop h GLU 11 N 0.00 0.00 -1.07 2.19 4.11 -1.94 -2.03 114.58 115.83 1yop h GLU 11 Ca 0.03 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.90 1yop h GLU 11 Cb 0.13 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.11 1yop h GLU 11 CO -0.00 0.03 0.73 -0.25 0.07 0.00 0.00 179.01 179.58 1yop n ASP 12 N -4.32 6.33 -4.06 3.06 9.92 -0.53 -4.92 116.55 122.04 1yop n ASP 12 Ca -0.03 -3.58 -0.20 0.00 -0.53 0.00 0.00 54.79 50.45 1yop n ASP 12 Cb 0.11 -0.94 -0.15 0.00 -0.64 0.00 0.00 41.12 39.50 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 -3.29 0.90 0.47 -1.24 -1.94 -0.77 -4.94 119.30 108.50 1yop s MET 13 Ca 0.56 -0.40 -0.23 0.00 -1.71 0.00 0.00 55.69 53.91 1yop s MET 13 Cb 0.45 -0.87 -0.07 0.00 2.01 0.00 0.00 34.83 36.35 1yop s MET 13 CO 0.02 0.24 1.22 0.99 -0.01 0.00 0.00 175.02 177.48 1yop s THR 14 N -0.27 2.86 0.23 2.05 2.01 -0.65 -4.87 115.64 116.99 1yop s THR 14 Ca 0.04 0.66 0.08 0.00 0.31 0.00 0.00 61.69 62.78 1yop s THR 14 Cb -0.04 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1yop s THR 14 CO -0.00 0.01 0.08 0.72 -0.69 0.00 0.00 174.62 174.74 1yop s PHE 15 N -1.46 2.93 -0.47 4.92 -0.12 -1.26 -0.51 117.98 122.02 1yop s PHE 15 Ca 0.64 -0.14 0.05 0.00 -0.05 0.00 0.00 56.93 57.44 1yop s PHE 15 Cb -0.32 -1.35 0.19 0.00 -0.63 0.00 0.00 43.02 40.92 1yop s PHE 15 CO 0.39 0.55 0.43 -1.91 -0.05 0.00 0.00 175.22 174.63 1yop n GLU 16 N -0.75 0.71 0.15 1.99 4.07 0.23 -4.84 120.64 122.20 1yop n GLU 16 Ca -0.08 -3.48 0.19 0.00 -0.06 0.00 0.00 57.16 53.73 1yop n GLU 16 Cb 0.57 -1.69 0.78 0.00 -0.06 0.00 0.00 31.44 31.04 1yop n GLU 16 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1yop h PRO 17 N 5.10 0.00 -0.83 5.31 0.11 -1.96 0.23 132.00 139.97 1yop h PRO 17 Ca 0.20 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.44 1yop h PRO 17 Cb 0.86 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.88 1yop h PRO 17 CO 0.48 0.00 0.43 1.05 -0.21 0.00 0.00 178.00 179.75 1yop h GLU 18 N 0.00 0.63 0.00 1.05 4.11 -1.93 -2.42 114.58 116.02 1yop h GLU 18 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1yop h GLU 18 Cb 0.86 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1yop h GLU 18 CO -0.00 0.41 -0.18 0.09 0.07 0.00 0.00 179.01 179.40 1yop n ASN 19 N -4.85 0.77 -3.09 3.06 3.02 -0.82 -4.30 115.26 109.05 1yop n ASN 19 Ca 0.16 -1.94 -0.10 0.00 -0.03 0.00 0.00 54.58 52.67 1yop n ASN 19 Cb 0.39 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.36 -1.86 -3.56 3.52 6.02 0.76 -4.91 117.38 116.99 1yop n GLN 20 Ca 0.03 1.69 -0.15 0.00 -0.01 0.00 0.00 57.00 58.56 1yop n GLN 20 Cb 0.56 -5.02 -0.06 0.00 1.02 0.00 0.00 30.24 26.75 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 -2.96 0.86 -0.10 -1.09 0.23 -1.06 -2.81 119.30 112.38 1yop s MET 21 Ca 0.15 0.35 -0.03 0.00 -1.03 0.00 0.00 55.69 55.12 1yop s MET 21 Cb -0.03 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 1yop s MET 21 CO 0.79 -0.24 0.04 -0.06 -2.03 0.00 0.00 175.02 173.51 1yop s PHE 22 N -0.86 3.27 0.12 3.16 0.40 -0.32 0.76 117.98 124.52 1yop s PHE 22 Ca -0.06 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.57 1yop s PHE 22 Cb -0.01 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1yop s PHE 22 CO 0.05 0.51 -0.10 0.95 0.70 0.00 0.00 175.22 177.34 1yop s THR 23 N -0.84 1.05 -0.28 0.64 -4.23 0.34 -1.59 115.64 110.73 1yop s THR 23 Ca 0.13 -1.90 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 1yop s THR 23 Cb -0.12 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.16 1yop s THR 23 CO 0.03 -0.69 0.81 -0.47 -0.54 0.00 0.00 174.62 173.76 1yop s TYR 24 N -3.02 -0.76 -0.56 3.99 6.14 -1.05 -1.64 117.35 120.45 1yop s TYR 24 Ca 0.12 1.72 -0.26 0.00 0.64 0.00 0.00 57.07 59.29 1yop s TYR 24 Cb 0.01 0.39 -0.04 0.00 0.42 0.00 0.00 41.96 42.74 1yop s TYR 24 CO -0.00 -0.37 2.06 -1.25 0.64 0.00 0.00 175.55 176.63 1yop s PRO 25 N 0.76 2.45 0.35 4.97 0.04 -1.26 0.81 135.00 143.12 1yop s PRO 25 Ca -0.03 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 1yop s PRO 25 Cb -0.05 -4.46 -0.12 0.00 0.04 0.00 0.00 34.50 29.92 1yop s PRO 25 CO -0.08 -2.91 1.44 0.00 0.04 0.00 0.00 177.00 175.49 1yop h PRO 27 N 3.07 0.00 -0.41 0.00 0.11 -1.92 -0.49 132.00 132.35 1yop h PRO 27 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1yop h PRO 27 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1yop h PRO 27 CO 0.66 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.20 1yop n GLY 29 N -0.15 2.81 3.00 0.00 0.00 -0.19 -5.04 105.19 105.62 1yop n GLY 29 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.44 -4.20 1.61 2.03 -1.26 -4.68 116.55 108.62 1yop n ASP 30 Ca 0.00 -1.14 -0.33 0.00 0.52 0.00 0.00 54.79 53.84 1yop n ASP 30 Cb 0.00 -0.84 -0.16 0.00 -0.72 0.00 0.00 41.12 39.39 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 -5.16 3.08 0.71 -0.67 3.52 -1.26 0.10 118.95 119.26 1yop s ARG 31 Ca 0.60 -0.83 -0.15 0.00 -0.13 0.00 0.00 55.73 55.23 1yop s ARG 31 Cb -0.05 -2.48 0.03 0.00 -1.56 0.00 0.00 34.95 30.88 1yop s ARG 31 CO 0.45 0.00 1.17 0.12 -0.81 0.00 0.00 175.30 176.24 1yop s PHE 32 N 0.79 2.24 -0.15 5.12 5.36 0.24 -4.80 117.98 126.78 1yop s PHE 32 Ca -0.07 1.59 -0.11 0.00 -0.96 0.00 0.00 56.93 57.37 1yop s PHE 32 Cb -0.16 -3.37 0.04 0.00 -0.34 0.00 0.00 43.02 39.20 1yop s PHE 32 CO -0.01 -2.30 0.38 1.14 -1.46 0.00 0.00 175.22 172.96 1yop s GLN 33 N -3.95 0.40 -0.13 10.12 -2.07 -1.26 -2.52 119.66 120.25 1yop s GLN 33 Ca 0.72 0.61 -0.10 0.00 -1.82 0.00 0.00 55.36 54.77 1yop s GLN 33 Cb -0.26 0.11 0.04 0.00 -1.09 0.00 0.00 33.01 31.81 1yop s GLN 33 CO 0.44 -0.10 0.33 -1.50 -1.32 0.00 0.00 175.29 173.15 1yop s ILE 34 N 0.68 -0.01 0.15 3.63 2.07 -0.62 -5.00 121.20 122.09 1yop s ILE 34 Ca -0.04 0.05 -0.22 0.00 -1.41 0.00 0.00 60.65 59.03 1yop s ILE 34 Cb -0.05 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 41.98 1yop s ILE 34 CO -0.05 0.02 0.69 -0.47 -1.91 0.00 0.00 174.94 173.23 1yop s TYR 35 N 0.71 3.82 0.12 3.50 6.14 -1.26 -1.18 117.35 129.21 1yop s TYR 35 Ca -0.04 1.46 -0.20 0.00 0.64 0.00 0.00 57.07 58.93 1yop s TYR 35 Cb -0.06 -2.64 -0.05 0.00 0.42 0.00 0.00 41.96 39.63 1yop s TYR 35 CO -0.05 0.51 1.74 -0.07 0.64 0.00 0.00 175.55 178.32 1yop h LEU 36 N 4.21 0.01 -1.07 6.97 4.07 -1.87 -2.23 115.31 125.39 1yop h LEU 36 Ca -0.48 0.03 0.05 0.00 0.08 0.00 0.00 57.88 57.56 1yop h LEU 36 Cb 1.21 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.92 1yop h LEU 36 CO 0.65 0.03 0.63 -0.78 -1.08 0.00 0.00 178.44 177.89 1yop h ASP 37 N 0.11 1.01 -0.37 -0.43 3.58 -1.94 -2.33 116.42 116.04 1yop h ASP 37 Ca 0.08 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.55 1yop h ASP 37 Cb 0.07 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 1yop h ASP 37 CO -0.11 0.67 0.20 0.44 -2.88 0.00 0.00 179.24 177.57 1yop h ASP 38 N 1.16 0.31 -0.54 2.28 3.32 -1.82 -1.99 116.42 119.13 1yop h ASP 38 Ca 0.40 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.47 1yop h ASP 38 Cb 0.09 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1yop h ASP 38 CO -0.14 0.22 0.36 0.24 -1.72 0.00 0.00 179.24 178.21 1yop h MET 39 N 0.41 0.70 -0.78 3.56 2.86 -0.94 -2.24 114.93 118.49 1yop h MET 39 Ca 0.15 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.84 1yop h MET 39 Cb 0.04 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.47 1yop h MET 39 CO -0.09 0.46 0.44 0.35 1.06 0.00 0.00 176.91 179.12 1yop h PHE 40 N 0.72 0.79 -0.17 -0.22 3.04 -0.97 -2.21 116.94 117.91 1yop h PHE 40 Ca 0.20 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.18 1yop h PHE 40 Cb -0.06 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 1yop h PHE 40 CO -0.00 0.32 0.11 0.93 -2.02 0.00 0.00 178.31 177.65 1yop h GLU 41 N 0.74 0.23 0.00 1.11 5.08 -1.31 -3.46 114.58 116.98 1yop h GLU 41 Ca 0.38 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1yop h GLU 41 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1yop h GLU 41 CO -0.25 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.35 1yop n GLY 42 N -1.09 -0.49 3.33 -3.84 0.00 -0.84 -5.12 105.19 97.14 1yop n GLY 42 Ca -0.04 0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 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 3.25 -0.18 1.61 2.56 -1.18 -4.82 118.70 119.94 1yop s GLU 43 Ca 0.00 -1.97 0.05 0.00 0.00 0.00 0.00 54.97 53.05 1yop s GLU 43 Cb 0.00 -4.36 -0.14 0.00 2.00 0.00 0.00 34.13 31.62 1yop s GLU 43 CO 0.00 -1.34 -0.10 1.63 -0.56 0.00 0.00 175.26 174.89 1yop n LYS 44 N 4.88 0.82 -4.01 4.30 5.02 -1.26 -4.80 118.16 123.10 1yop n LYS 44 Ca -0.02 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1yop n LYS 44 Cb 0.43 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.91 1yop n LYS 44 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yop s VAL 45 N -2.37 2.48 0.40 -0.18 0.11 -1.26 -1.81 120.40 117.75 1yop s VAL 45 Ca -0.20 -1.46 0.08 0.00 -2.93 0.00 0.00 61.98 57.47 1yop s VAL 45 Cb 0.06 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 1yop s VAL 45 CO 0.49 0.00 0.27 0.00 -3.33 0.00 0.00 175.10 172.53 1yop s ALA 46 N 1.18 3.79 -0.01 1.54 0.00 -1.16 -4.94 121.76 122.17 1yop s ALA 46 Ca -0.06 -1.93 0.04 0.00 0.00 0.00 0.00 51.96 50.00 1yop s ALA 46 Cb -0.19 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1yop s ALA 46 CO -0.04 -0.15 -0.12 0.54 0.00 0.00 0.00 175.76 175.99 1yop s VAL 47 N -2.49 0.95 0.19 0.00 0.11 -1.26 -2.51 120.40 115.38 1yop s VAL 47 Ca 0.44 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 1yop s VAL 47 Cb -0.01 -0.80 -0.08 0.00 -1.53 0.00 0.00 36.38 33.97 1yop s VAL 47 CO 0.25 0.24 1.06 0.00 -3.33 0.00 0.00 175.10 173.32 1yop n PRO 49 N 2.14 1.57 0.06 0.00 -0.04 -1.26 -1.54 135.00 135.94 1yop n PRO 49 Ca 0.01 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1yop n PRO 49 Cb 0.47 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.11 0.36 -0.01 3.54 2.88 -1.26 -4.89 113.62 114.35 1yop n SER 50 Ca 0.05 0.21 0.03 0.00 -1.33 0.00 0.00 58.87 57.82 1yop n SER 50 Cb 0.42 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.76 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 -2.62 -4.28 -4.70 0.00 2.88 -0.59 -5.00 113.62 99.32 1yop n SER 52 Ca -0.12 -0.28 -0.36 0.00 -1.33 0.00 0.00 58.87 56.78 1yop n SER 52 Cb 0.79 -2.85 -0.08 0.00 -0.75 0.00 0.00 64.21 61.32 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 -4.27 4.18 0.11 2.46 1.43 -1.26 -4.78 118.68 116.56 1yop s LEU 53 Ca 0.30 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 1yop s LEU 53 Cb -0.13 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1yop s LEU 53 CO 0.38 0.08 0.85 -0.04 0.23 0.00 0.00 176.35 177.85 1yop s MET 54 N 0.75 4.61 0.05 1.70 -1.94 -1.24 -3.29 119.30 119.95 1yop s MET 54 Ca 0.12 1.25 0.02 0.00 -1.71 0.00 0.00 55.69 55.37 1yop s MET 54 Cb -0.13 -3.34 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 1yop s MET 54 CO 0.03 0.34 -0.07 0.96 -0.01 0.00 0.00 175.02 176.28 1yop s ILE 55 N -0.38 0.49 -0.41 2.53 -4.36 -1.04 -2.76 121.20 115.27 1yop s ILE 55 Ca 0.41 -1.27 -0.13 0.00 -0.26 0.00 0.00 60.65 59.40 1yop s ILE 55 Cb -0.22 -0.83 0.04 0.00 1.25 0.00 0.00 42.46 42.69 1yop s ILE 55 CO 0.27 -0.53 0.27 -1.81 0.24 0.00 0.00 174.94 173.37 1yop s ASP 56 N -1.94 5.90 -0.30 4.36 1.01 -1.16 -2.97 116.67 121.57 1yop s ASP 56 Ca -0.05 -1.07 -0.06 0.00 0.71 0.00 0.00 52.55 52.08 1yop s ASP 56 Cb -0.06 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.81 1yop s ASP 56 CO -0.01 -0.46 0.06 0.68 0.21 0.00 0.00 175.17 175.64 1yop s VAL 57 N 1.59 3.68 -1.05 -1.27 -7.23 -0.75 -1.22 120.40 114.15 1yop s VAL 57 Ca 0.03 -0.91 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 1yop s VAL 57 Cb -0.20 -2.96 0.07 0.00 0.56 0.00 0.00 36.38 33.84 1yop s VAL 57 CO 0.07 0.01 1.44 0.54 -0.31 0.00 0.00 175.10 176.85 1yop s VAL 58 N 1.43 4.12 0.53 1.32 0.11 -1.09 -4.72 120.40 122.10 1yop s VAL 58 Ca 0.00 -1.13 -0.16 0.00 -2.93 0.00 0.00 61.98 57.77 1yop s VAL 58 Cb -0.18 -5.03 -0.07 0.00 -1.53 0.00 0.00 36.38 29.57 1yop s VAL 58 CO 0.01 -1.87 0.99 0.72 -3.33 0.00 0.00 175.10 171.62 1yop s PHE 59 N 4.38 3.48 0.00 1.54 -0.71 -1.26 -3.23 117.98 122.18 1yop s PHE 59 Ca 0.45 1.44 -0.01 0.00 -1.04 0.00 0.00 56.93 57.77 1yop s PHE 59 Cb -0.00 -2.78 -0.04 0.00 -1.21 0.00 0.00 43.02 38.99 1yop s PHE 59 CO -0.07 -0.41 0.10 -0.51 -1.34 0.00 0.00 175.22 172.99 1yop s ASP 60 N -3.23 5.81 -0.09 1.98 1.01 -1.26 -5.02 116.67 115.87 1yop s ASP 60 Ca 0.58 0.18 -0.09 0.00 0.71 0.00 0.00 52.55 53.93 1yop s ASP 60 Cb -0.10 -1.70 -0.28 0.00 1.01 0.00 0.00 42.92 41.85 1yop s ASP 60 CO 0.35 0.26 0.51 0.50 0.21 0.00 0.00 175.17 177.00 1yop h LYS 61 N 3.98 0.32 -0.63 8.23 3.64 -2.00 -3.24 116.57 126.88 1yop h LYS 61 Ca -0.49 -0.55 0.06 0.00 -1.27 0.00 0.00 60.65 58.40 1yop h LYS 61 Cb 1.18 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 33.15 1yop h LYS 61 CO 0.64 1.27 0.33 1.49 -2.27 0.00 0.00 179.45 180.90 1yop h GLU 62 N 0.07 0.59 -0.27 1.90 4.81 -2.00 -1.91 114.58 117.75 1yop h GLU 62 Ca -0.38 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1yop h GLU 62 Cb 2.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1yop h GLU 62 CO 0.13 0.39 0.12 -0.44 -0.73 0.00 0.00 179.01 178.47 1yop h ASP 63 N 0.61 0.37 -0.61 1.04 3.32 -2.00 -2.76 116.42 116.38 1yop h ASP 63 Ca 0.28 -0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.28 1yop h ASP 63 Cb 0.21 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 1yop h ASP 63 CO -0.19 0.43 0.21 0.25 -1.72 0.00 0.00 179.24 178.21 1yop h LEU 64 N 0.30 0.18 0.04 1.55 6.46 -1.45 0.80 115.31 123.19 1yop h LEU 64 Ca 0.09 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1yop h LEU 64 Cb 0.16 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1yop h LEU 64 CO -0.01 0.11 -0.10 0.00 -0.62 0.00 0.00 178.44 177.82 1yop h ALA 65 N 1.44 -0.14 -0.20 1.25 0.00 -1.22 -1.11 119.26 119.27 1yop h ALA 65 Ca 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1yop h ALA 65 Cb 0.41 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1yop h ALA 65 CO -0.33 -0.60 -0.04 0.93 0.00 0.00 0.00 179.25 179.21 1yop h GLU 66 N -0.19 0.38 -0.68 0.00 5.08 -1.13 -2.97 114.58 115.07 1yop h GLU 66 Ca 0.02 -0.14 0.17 0.00 -1.00 0.00 0.00 59.36 58.41 1yop h GLU 66 Cb 0.21 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1yop h GLU 66 CO -0.07 0.62 0.47 1.88 -1.00 0.00 0.00 179.01 180.91 1yop h TYR 67 N 0.11 0.22 -0.12 4.33 0.05 0.74 0.59 116.97 122.89 1yop h TYR 67 Ca 0.05 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1yop h TYR 67 Cb 0.47 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1yop h TYR 67 CO 0.05 0.08 0.04 -0.92 -1.05 0.00 0.00 178.16 176.36 1yop h TYR 68 N 0.18 0.08 0.11 4.88 3.20 -1.03 0.32 116.97 124.72 1yop h TYR 68 Ca 0.33 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.90 1yop h TYR 68 Cb 1.04 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1yop h TYR 68 CO -0.00 0.04 -1.50 0.93 -1.64 0.00 0.00 178.16 175.99 1yop h GLU 69 N 0.10 0.24 -0.02 1.82 5.08 -1.39 -3.32 114.58 117.09 1yop h GLU 69 Ca 0.05 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1yop h GLU 69 Cb 0.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1yop h GLU 69 CO -0.05 1.11 -0.32 0.93 -1.00 0.00 0.00 179.01 179.68 1yop h GLU 70 N 0.07 0.03 -7.21 2.33 4.39 0.22 -3.45 114.58 110.96 1yop h GLU 70 Ca -0.23 -0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.00 1yop h GLU 70 Cb 2.01 -0.00 0.20 0.00 -0.10 0.00 0.00 28.75 30.85 1yop h GLU 70 CO 0.16 0.35 0.09 0.00 -1.16 0.00 0.00 179.01 178.46 1yop s ALA 71 N -4.31 0.20 -0.49 3.43 0.00 0.11 -4.96 121.76 115.75 1yop s ALA 71 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1yop s ALA 71 Cb 0.15 -3.27 0.47 0.00 0.00 0.00 0.00 23.12 20.47 1yop s ALA 71 CO 0.72 -3.42 1.68 0.41 0.00 0.00 0.00 175.76 175.15 1yop n GLY 72 N 0.32 5.93 3.77 0.00 0.00 -0.91 -5.01 105.19 109.27 1yop n GLY 72 Ca 0.05 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 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 -4.54 2.69 -0.03 -0.61 2.07 -1.23 -4.76 121.20 114.79 1yop s ILE 73 Ca 0.58 0.68 -0.11 0.00 -1.41 0.00 0.00 60.65 60.39 1yop s ILE 73 Cb 0.46 -3.43 -0.06 0.00 0.13 0.00 0.00 42.46 39.56 1yop s ILE 73 CO 0.01 0.16 0.56 0.45 -1.91 0.00 0.00 174.94 174.21 1yop h HIS 74 N 3.27 -0.36 -3.09 3.50 3.86 -1.93 -3.42 115.15 116.97 1yop h HIS 74 Ca -0.49 -0.01 -0.57 0.00 -1.16 0.00 0.00 60.37 58.14 1yop h HIS 74 Cb 1.23 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.77 1yop h HIS 74 CO 0.55 -0.22 1.12 -1.25 0.86 0.00 0.00 177.93 178.99 1yop s PRO 75 N -2.88 3.53 0.00 2.45 0.04 -1.26 -4.93 135.00 131.96 1yop s PRO 75 Ca -0.06 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1yop s PRO 75 Cb 0.01 -4.07 -0.15 0.00 0.04 0.00 0.00 34.50 30.33 1yop s PRO 75 CO 0.17 -1.61 1.14 -1.00 0.04 0.00 0.00 177.00 175.74 1yop h PRO 76 N 11.22 -0.56 -2.82 0.56 0.13 -2.02 -3.47 132.00 135.04 1yop h PRO 76 Ca -0.29 0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1yop h PRO 76 Cb 1.12 0.13 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 1yop h PRO 76 CO 1.07 -0.25 -0.11 -1.21 -0.23 0.00 0.00 178.00 177.26 1yop s GLU 77 N -4.53 0.85 0.53 0.86 8.01 -1.26 -5.16 118.70 117.99 1yop s GLU 77 Ca -0.14 -0.17 -0.21 0.00 0.01 0.00 0.00 54.97 54.47 1yop s GLU 77 Cb 0.02 0.38 -0.07 0.00 -4.31 0.00 0.00 34.13 30.15 1yop s GLU 77 CO 0.48 -0.27 1.02 -2.30 0.01 0.00 0.00 175.26 174.21 1yop n PRO 78 N 0.90 1.19 -0.10 0.39 -0.02 -1.26 -4.97 135.00 131.13 1yop n PRO 78 Ca -0.20 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1yop n PRO 78 Cb 0.58 -2.17 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.16 1.23 -3.65 4.25 -5.35 -1.26 -4.90 119.36 108.53 1yop n ILE 79 Ca 0.11 -0.62 -0.39 0.00 -0.27 0.00 0.00 62.75 61.58 1yop n ILE 79 Cb 0.44 -0.90 -0.12 0.00 -1.74 0.00 0.00 39.64 37.33 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 -2.43 3.23 0.83 -1.28 0.00 -1.26 -5.09 121.76 115.75 1yop s ALA 80 Ca -0.19 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.05 1yop s ALA 80 Cb 0.06 -2.45 0.11 0.00 0.00 0.00 0.00 23.12 20.85 1yop s ALA 80 CO 0.62 -1.20 1.19 0.00 0.00 0.00 0.00 175.76 176.37 1yop s ALA 81 N 1.55 2.64 0.02 0.00 0.00 -1.26 -5.00 121.76 119.71 1yop s ALA 81 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1yop s ALA 81 Cb -0.18 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1yop s ALA 81 CO 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 175.76 173.99 1yop n ALA 82 N -3.37 0.00 -0.54 0.00 0.00 -1.26 -5.27 120.51 110.07 1yop n ALA 82 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1yop n ALA 82 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1yop n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50