#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 4.03 -0.36 2.03 -7.23 -1.26 -5.09 120.40 112.52 1yop s VAL 2 Ca 0.00 -0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 1yop s VAL 2 Cb 0.00 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1yop s VAL 2 CO 0.00 0.53 0.45 -0.94 -0.31 0.00 0.00 175.10 174.83 1yop s SER 3 N -0.13 6.24 0.45 4.85 1.04 -1.26 -4.95 113.70 119.94 1yop s SER 3 Ca 0.03 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1yop s SER 3 Cb -0.13 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1yop s SER 3 CO 0.02 -0.46 0.00 0.35 0.98 0.00 0.00 173.24 174.14 1yop n THR 4 N 5.38 0.00 -0.02 2.02 -2.24 -1.26 -4.89 114.28 113.26 1yop n THR 4 Ca -0.07 0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 62.04 1yop n THR 4 Cb 0.49 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 1yop n THR 4 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yop n TYR 5 N -4.30 0.00 -3.84 4.78 4.02 -0.63 -4.99 117.16 112.20 1yop n TYR 5 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.78 1yop n TYR 5 Cb 0.67 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1yop n TYR 5 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1yop s ASP 6 N -4.30 -0.09 -0.09 7.72 1.47 -1.25 -5.09 116.67 115.03 1yop s ASP 6 Ca -0.06 -0.92 -0.03 0.00 1.18 0.00 0.00 52.55 52.72 1yop s ASP 6 Cb 0.02 0.79 0.05 0.00 -0.34 0.00 0.00 42.92 43.44 1yop s ASP 6 CO 0.13 -1.53 0.17 -1.83 0.68 0.00 0.00 175.17 172.78 1yop s GLU 7 N -3.05 0.05 0.15 2.11 4.04 -1.26 -1.57 118.70 119.17 1yop s GLU 7 Ca 0.14 0.55 0.09 0.00 0.04 0.00 0.00 54.97 55.79 1yop s GLU 7 Cb -0.05 -0.24 -0.04 0.00 0.02 0.00 0.00 34.13 33.81 1yop s GLU 7 CO 0.10 -0.29 -0.14 0.42 -1.84 0.00 0.00 175.26 173.51 1yop s ILE 8 N 2.15 3.01 0.34 1.83 1.09 -0.99 -4.97 121.20 123.67 1yop s ILE 8 Ca 0.01 -1.57 -0.05 0.00 -1.10 0.00 0.00 60.65 57.94 1yop s ILE 8 Cb -0.12 -2.43 -0.05 0.00 -1.06 0.00 0.00 42.46 38.80 1yop s ILE 8 CO -0.06 0.00 0.61 -1.83 -0.10 0.00 0.00 174.94 173.57 1yop s GLU 9 N -2.45 3.62 0.42 2.79 1.03 -1.26 -2.65 118.70 120.19 1yop s GLU 9 Ca 0.21 0.04 0.12 0.00 0.03 0.00 0.00 54.97 55.37 1yop s GLU 9 Cb -0.10 -2.58 0.89 0.00 -0.80 0.00 0.00 34.13 31.54 1yop s GLU 9 CO 0.13 0.12 1.96 0.97 -1.33 0.00 0.00 175.26 177.10 1yop h ILE 10 N 1.09 1.15 -0.38 1.83 2.10 -1.79 -2.43 117.51 119.08 1yop h ILE 10 Ca -0.48 -0.68 0.01 0.00 1.08 0.00 0.00 64.86 64.79 1yop h ILE 10 Cb 1.20 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 38.14 1yop h ILE 10 CO 0.64 0.21 0.25 -0.33 -1.08 0.00 0.00 178.15 177.84 1yop h GLU 11 N 0.14 0.47 -1.13 2.19 5.08 -1.94 -1.94 114.58 117.44 1yop h GLU 11 Ca 0.03 -0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1yop h GLU 11 Cb 0.33 -0.11 -0.24 0.00 0.50 0.00 0.00 28.75 29.23 1yop h GLU 11 CO 0.02 0.31 0.68 -3.47 -1.00 0.00 0.00 179.01 175.55 1yop n ASP 12 N -4.48 6.30 -4.00 1.42 2.03 -0.91 -4.89 116.55 112.02 1yop n ASP 12 Ca 0.03 -3.49 -0.21 0.00 0.52 0.00 0.00 54.79 51.64 1yop n ASP 12 Cb 0.08 -0.95 -0.16 0.00 -0.72 0.00 0.00 41.12 39.38 1yop n ASP 12 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1yop s MET 13 N -3.03 1.09 0.39 -0.67 1.75 -0.73 -4.89 119.30 113.20 1yop s MET 13 Ca 0.52 -0.31 -0.25 0.00 -1.25 0.00 0.00 55.69 54.39 1yop s MET 13 Cb 0.41 -1.00 -0.09 0.00 2.84 0.00 0.00 34.83 37.00 1yop s MET 13 CO 0.02 0.08 1.13 0.99 -0.65 0.00 0.00 175.02 176.59 1yop s THR 14 N 0.34 3.34 -0.03 10.11 2.01 -0.87 -4.85 115.64 125.68 1yop s THR 14 Ca -0.06 1.12 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1yop s THR 14 Cb -0.11 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1yop s THR 14 CO 0.01 0.10 -0.09 0.72 -0.69 0.00 0.00 174.62 174.67 1yop s PHE 15 N -1.45 2.84 -0.70 4.92 -0.71 -1.26 0.54 117.98 122.17 1yop s PHE 15 Ca 0.56 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.42 1yop s PHE 15 Cb -0.29 -1.64 0.17 0.00 -1.21 0.00 0.00 43.02 40.06 1yop s PHE 15 CO 0.36 0.31 0.50 -1.21 -1.34 0.00 0.00 175.22 173.84 1yop s GLU 16 N -1.06 2.53 0.60 1.99 2.02 0.24 -4.93 118.70 120.09 1yop s GLU 16 Ca 0.14 -3.14 0.29 0.00 0.02 0.00 0.00 54.97 52.28 1yop s GLU 16 Cb -0.11 -3.52 1.61 0.00 0.10 0.00 0.00 34.13 32.21 1yop s GLU 16 CO 0.04 -1.24 2.01 -1.35 0.02 0.00 0.00 175.26 174.74 1yop h PRO 17 N 5.84 0.00 -0.98 0.39 0.11 -1.96 0.23 132.00 135.64 1yop h PRO 17 Ca 0.09 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.40 1yop h PRO 17 Cb 0.81 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.82 1yop h PRO 17 CO 0.74 0.00 0.62 1.05 -0.21 0.00 0.00 178.00 180.19 1yop h GLU 18 N 0.00 0.61 0.00 1.05 4.11 -1.94 -3.06 114.58 115.35 1yop h GLU 18 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1yop h GLU 18 Cb 0.75 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1yop h GLU 18 CO -0.00 0.40 -0.35 0.09 0.07 0.00 0.00 179.01 179.22 1yop n ASN 19 N -4.67 0.43 -3.26 3.06 3.02 -0.76 -4.89 115.26 108.18 1yop n ASN 19 Ca 0.22 -2.06 -0.14 0.00 -0.03 0.00 0.00 54.58 52.58 1yop n ASN 19 Cb 0.63 -0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.60 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 -0.24 -1.71 -3.59 3.52 6.02 -0.00 -4.93 117.38 116.44 1yop n GLN 20 Ca 0.03 1.45 -0.12 0.00 -0.01 0.00 0.00 57.00 58.35 1yop n GLN 20 Cb 0.66 -4.34 -0.06 0.00 1.02 0.00 0.00 30.24 27.51 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 -3.31 0.66 0.37 -1.09 0.23 -1.08 -3.02 119.30 112.06 1yop s MET 21 Ca 0.11 0.37 -0.05 0.00 -1.03 0.00 0.00 55.69 55.09 1yop s MET 21 Cb -0.02 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.54 1yop s MET 21 CO 0.81 -0.16 0.66 -0.06 -2.03 0.00 0.00 175.02 174.23 1yop s PHE 22 N -0.59 3.50 -0.11 3.16 0.40 0.28 0.82 117.98 125.44 1yop s PHE 22 Ca -0.02 0.71 -0.08 0.00 -0.60 0.00 0.00 56.93 56.94 1yop s PHE 22 Cb -0.02 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.36 1yop s PHE 22 CO 0.00 -0.01 0.27 0.95 0.70 0.00 0.00 175.22 177.14 1yop s THR 23 N -2.35 -0.01 -0.01 0.64 -4.23 0.19 -0.35 115.64 109.51 1yop s THR 23 Ca 0.45 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1yop s THR 23 Cb -0.10 -0.39 0.01 0.00 1.34 0.00 0.00 72.50 73.35 1yop s THR 23 CO 0.35 0.02 0.01 -0.47 -0.54 0.00 0.00 174.62 173.99 1yop s TYR 24 N 0.54 0.03 -0.54 3.99 5.04 -0.55 -2.06 117.35 123.81 1yop s TYR 24 Ca -0.03 0.05 -0.27 0.00 -2.44 0.00 0.00 57.07 54.38 1yop s TYR 24 Cb -0.05 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.12 1yop s TYR 24 CO -0.03 -0.04 1.96 -1.25 -1.34 0.00 0.00 175.55 174.86 1yop s PRO 25 N 0.42 2.64 0.32 4.97 0.04 -1.26 0.79 135.00 142.92 1yop s PRO 25 Ca -0.04 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1yop s PRO 25 Cb -0.05 -4.40 -0.11 0.00 0.04 0.00 0.00 34.50 29.98 1yop s PRO 25 CO -0.01 -2.70 1.50 0.00 0.04 0.00 0.00 177.00 175.83 1yop h PRO 27 N 3.98 0.00 -0.52 0.00 0.13 -1.93 -1.54 132.00 132.12 1yop h PRO 27 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1yop h PRO 27 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1yop h PRO 27 CO 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1yop n GLY 29 N -0.57 2.65 3.96 0.00 0.00 -0.58 -5.06 105.19 105.59 1yop n GLY 29 Ca 0.03 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1yop n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yop s ASP 30 N 0.00 3.34 -0.24 1.61 -1.08 -1.26 -4.80 116.67 114.25 1yop s ASP 30 Ca 0.00 -0.06 -0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1yop s ASP 30 Cb 0.00 -0.02 0.01 0.00 -1.46 0.00 0.00 42.92 41.44 1yop s ASP 30 CO 0.00 -2.56 -0.04 -0.60 0.52 0.00 0.00 175.17 172.49 1yop s ARG 31 N -5.68 3.13 0.75 4.34 3.52 -1.26 0.04 118.95 123.79 1yop s ARG 31 Ca 0.73 -0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 55.41 1yop s ARG 31 Cb -0.03 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 30.39 1yop s ARG 31 CO 0.51 -0.30 1.15 0.12 -0.81 0.00 0.00 175.30 175.96 1yop s PHE 32 N 1.42 2.23 -0.06 5.12 5.36 0.24 -4.79 117.98 127.50 1yop s PHE 32 Ca 0.03 1.61 -0.03 0.00 -0.96 0.00 0.00 56.93 57.58 1yop s PHE 32 Cb -0.15 -3.29 0.03 0.00 -0.34 0.00 0.00 43.02 39.27 1yop s PHE 32 CO -0.04 -2.23 0.14 1.14 -1.46 0.00 0.00 175.22 172.78 1yop s GLN 33 N -4.26 0.10 -0.03 10.12 -2.07 -1.26 -1.48 119.66 120.78 1yop s GLN 33 Ca 0.69 0.34 -0.01 0.00 -1.82 0.00 0.00 55.36 54.56 1yop s GLN 33 Cb -0.23 -0.14 0.03 0.00 -1.09 0.00 0.00 33.01 31.58 1yop s GLN 33 CO 0.48 -0.14 0.03 -1.50 -1.32 0.00 0.00 175.29 172.84 1yop s ILE 34 N 0.98 0.02 0.45 3.63 2.07 0.52 -4.98 121.20 123.89 1yop s ILE 34 Ca -0.08 0.25 -0.20 0.00 -1.41 0.00 0.00 60.65 59.22 1yop s ILE 34 Cb -0.10 -0.19 -0.10 0.00 0.13 0.00 0.00 42.46 42.20 1yop s ILE 34 CO -0.05 0.15 0.95 -0.31 -1.91 0.00 0.00 174.94 173.77 1yop s TYR 35 N 1.51 3.35 0.23 3.50 1.51 -1.26 0.10 117.35 126.29 1yop s TYR 35 Ca -0.03 1.56 -0.07 0.00 -1.01 0.00 0.00 57.07 57.51 1yop s TYR 35 Cb -0.13 -2.82 0.22 0.00 -0.11 0.00 0.00 41.96 39.12 1yop s TYR 35 CO -0.03 -0.17 1.87 -0.07 -1.11 0.00 0.00 175.55 176.04 1yop h LEU 36 N 1.66 1.13 -1.34 -1.29 3.38 -1.90 -2.14 115.31 114.81 1yop h LEU 36 Ca -0.48 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1yop h LEU 36 Cb 1.18 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1yop h LEU 36 CO 0.61 0.89 0.05 -2.24 0.09 0.00 0.00 178.44 177.85 1yop h ASP 37 N 1.28 0.45 0.65 -0.43 2.03 -1.93 0.14 116.42 118.61 1yop h ASP 37 Ca 0.33 -0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 56.53 1yop h ASP 37 Cb -0.00 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 38.39 1yop h ASP 37 CO -0.06 0.48 -0.31 0.44 -1.03 0.00 0.00 179.24 178.77 1yop h ASP 38 N 0.48 -0.74 -0.24 4.15 3.32 -1.79 -2.62 116.42 118.98 1yop h ASP 38 Ca 0.11 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1yop h ASP 38 Cb 0.24 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1yop h ASP 38 CO 0.00 -0.38 0.01 0.00 -1.72 0.00 0.00 179.24 177.16 1yop h MET 39 N -1.16 0.52 -0.95 3.56 -0.00 -1.43 -2.65 114.93 112.81 1yop h MET 39 Ca -0.09 -0.10 0.06 0.00 -0.00 0.00 0.00 59.70 59.57 1yop h MET 39 Cb 0.70 -0.08 -0.06 0.00 -0.00 0.00 0.00 31.60 32.16 1yop h MET 39 CO 0.15 0.54 0.61 0.35 -0.00 0.00 0.00 176.91 178.55 1yop h PHE 40 N 0.50 1.13 -0.49 -0.10 3.57 -0.72 -1.34 116.94 119.49 1yop h PHE 40 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1yop h PHE 40 Cb 0.30 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1yop h PHE 40 CO 0.01 0.59 0.22 0.93 -2.23 0.00 0.00 178.31 177.83 1yop h GLU 41 N 1.11 0.68 0.00 1.11 5.08 -1.09 -3.45 114.58 118.02 1yop h GLU 41 Ca 0.41 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1yop h GLU 41 Cb 0.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1yop h GLU 41 CO -0.17 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 1yop n GLY 42 N -1.20 0.13 3.45 -3.84 0.00 -0.53 -5.14 105.19 98.07 1yop n GLY 42 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 3.38 -0.04 1.61 2.12 -1.07 -4.91 118.70 119.78 1yop s GLU 43 Ca 0.00 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1yop s GLU 43 Cb 0.00 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1yop s GLU 43 CO 0.00 -0.40 -0.03 0.36 -0.54 0.00 0.00 175.26 174.65 1yop n LYS 44 N 4.99 0.09 -3.39 4.30 2.85 -1.26 -4.63 118.16 121.11 1yop n LYS 44 Ca -0.14 0.02 -0.44 0.00 -1.05 0.00 0.00 58.31 56.70 1yop n LYS 44 Cb 0.49 -1.06 -0.06 0.00 -0.65 0.00 0.00 35.03 33.75 1yop n LYS 44 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1yop s VAL 45 N -2.07 4.96 0.39 0.58 -7.23 -1.26 -2.06 120.40 113.71 1yop s VAL 45 Ca -0.05 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1yop s VAL 45 Cb 0.01 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.80 1yop s VAL 45 CO 0.08 -0.78 0.54 0.00 -0.31 0.00 0.00 175.10 174.63 1yop s ALA 46 N 1.55 4.35 -0.04 1.32 0.00 -1.14 -4.97 121.76 122.84 1yop s ALA 46 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1yop s ALA 46 Cb -0.28 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1yop s ALA 46 CO 0.03 -0.20 -0.01 0.14 0.00 0.00 0.00 175.76 175.72 1yop s VAL 47 N -2.30 0.30 0.26 0.00 -7.23 -1.26 -3.19 120.40 106.98 1yop s VAL 47 Ca 0.51 0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.41 1yop s VAL 47 Cb -0.10 -0.39 -0.10 0.00 0.56 0.00 0.00 36.38 36.35 1yop s VAL 47 CO 0.33 0.18 1.39 0.00 -0.31 0.00 0.00 175.10 176.69 1yop n PRO 49 N 2.01 1.70 0.06 0.00 -0.04 -1.26 -1.57 135.00 135.89 1yop n PRO 49 Ca 0.05 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1yop n PRO 49 Cb 0.41 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.35 -0.01 3.54 2.88 -1.26 -4.89 113.62 114.34 1yop n SER 50 Ca 0.05 0.19 0.10 0.00 -1.33 0.00 0.00 58.87 57.88 1yop n SER 50 Cb 0.42 -0.01 -0.16 0.00 -0.75 0.00 0.00 64.21 63.71 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 -2.23 -4.56 -4.71 0.00 2.88 -0.61 -4.99 113.62 99.39 1yop n SER 52 Ca -0.04 -0.30 -0.40 0.00 -1.33 0.00 0.00 58.87 56.80 1yop n SER 52 Cb 0.55 -3.17 -0.05 0.00 -0.75 0.00 0.00 64.21 60.80 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 -4.67 4.31 -0.01 2.46 2.96 -1.26 -4.74 118.68 117.73 1yop s LEU 53 Ca 0.33 1.19 -0.27 0.00 -0.22 0.00 0.00 54.13 55.17 1yop s LEU 53 Cb -0.15 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1yop s LEU 53 CO 0.41 -0.13 0.85 -0.04 -1.32 0.00 0.00 176.35 176.12 1yop s MET 54 N 0.85 4.52 -0.01 1.98 -1.94 -1.26 -3.33 119.30 120.11 1yop s MET 54 Ca 0.38 1.18 -0.03 0.00 -1.71 0.00 0.00 55.69 55.51 1yop s MET 54 Cb -0.18 -3.43 -0.00 0.00 2.01 0.00 0.00 34.83 33.23 1yop s MET 54 CO 0.18 0.06 0.06 0.96 -0.01 0.00 0.00 175.02 176.28 1yop s ILE 55 N 0.69 0.06 -0.43 2.53 -5.25 -1.19 -1.61 121.20 115.99 1yop s ILE 55 Ca 0.44 -0.47 -0.11 0.00 -0.99 0.00 0.00 60.65 59.52 1yop s ILE 55 Cb -0.20 -0.25 0.07 0.00 2.95 0.00 0.00 42.46 45.03 1yop s ILE 55 CO 0.24 -0.26 0.30 -1.81 -1.79 0.00 0.00 174.94 171.62 1yop s ASP 56 N -0.82 5.79 -0.27 4.36 1.01 -0.61 -2.87 116.67 123.27 1yop s ASP 56 Ca -0.09 -1.43 -0.08 0.00 0.71 0.00 0.00 52.55 51.66 1yop s ASP 56 Cb -0.05 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 1yop s ASP 56 CO 0.00 -0.56 0.10 0.54 0.21 0.00 0.00 175.17 175.46 1yop s VAL 57 N 1.49 4.41 0.12 -1.27 0.11 -0.88 -2.34 120.40 122.05 1yop s VAL 57 Ca 0.03 -0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 58.58 1yop s VAL 57 Cb -0.23 -3.14 -0.07 0.00 -1.53 0.00 0.00 36.38 31.40 1yop s VAL 57 CO 0.04 0.23 0.69 0.54 -3.33 0.00 0.00 175.10 173.27 1yop s VAL 58 N 1.61 4.55 0.25 2.04 0.11 -1.08 -4.69 120.40 123.19 1yop s VAL 58 Ca 0.06 1.50 0.04 0.00 -2.93 0.00 0.00 61.98 60.65 1yop s VAL 58 Cb -0.16 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 1yop s VAL 58 CO 0.05 0.52 -0.01 0.72 -3.33 0.00 0.00 175.10 173.04 1yop s PHE 59 N -1.00 1.67 0.43 1.54 -0.71 -1.26 -2.07 117.98 116.58 1yop s PHE 59 Ca 0.33 -0.88 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 1yop s PHE 59 Cb -0.21 -0.97 -0.02 0.00 -1.21 0.00 0.00 43.02 40.60 1yop s PHE 59 CO 0.23 0.03 0.12 -0.51 -1.34 0.00 0.00 175.22 173.74 1yop s ASP 60 N -3.35 3.08 -0.31 1.98 1.11 -1.26 -5.05 116.67 112.86 1yop s ASP 60 Ca 0.29 -1.70 0.08 0.00 0.18 0.00 0.00 52.55 51.40 1yop s ASP 60 Cb 0.05 0.56 0.53 0.00 1.07 0.00 0.00 42.92 45.14 1yop s ASP 60 CO 0.10 -0.95 1.53 0.29 1.18 0.00 0.00 175.17 177.32 1yop n LYS 61 N -1.00 1.93 0.00 8.23 5.02 -1.26 -4.39 118.16 126.70 1yop n LYS 61 Ca -0.09 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 1yop n LYS 61 Cb 0.65 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1yop n LYS 61 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1yop n GLU 62 N -1.10 0.00 -0.08 1.97 1.02 -1.26 -4.20 120.64 116.98 1yop n GLU 62 Ca 0.36 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.44 1yop n GLU 62 Cb 1.12 -0.51 0.07 0.00 -0.02 0.00 0.00 31.44 32.10 1yop n GLU 62 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1yop h ASP 63 N 0.00 0.80 -0.90 1.62 3.04 -1.99 -2.30 116.42 116.69 1yop h ASP 63 Ca 0.00 -0.31 0.08 0.00 -3.24 0.00 0.00 57.03 53.57 1yop h ASP 63 Cb 0.00 -0.22 -0.07 0.00 -1.04 0.00 0.00 39.33 38.00 1yop h ASP 63 CO 0.00 1.02 0.55 0.25 -2.04 0.00 0.00 179.24 179.03 1yop h LEU 64 N 0.67 0.84 -0.20 0.15 6.46 -1.84 0.60 115.31 121.99 1yop h LEU 64 Ca 0.08 0.03 -0.22 0.00 -0.12 0.00 0.00 57.88 57.65 1yop h LEU 64 Cb 0.79 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1yop h LEU 64 CO 0.07 0.50 -0.80 0.00 -0.62 0.00 0.00 178.44 177.59 1yop h ALA 65 N 1.45 0.36 -0.13 1.25 0.00 -1.69 -3.26 119.26 117.23 1yop h ALA 65 Ca 0.41 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1yop h ALA 65 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yop h ALA 65 CO -0.21 0.71 -0.61 0.93 0.00 0.00 0.00 179.25 180.07 1yop h GLU 66 N 0.46 0.46 -0.37 0.00 5.08 -0.80 -3.10 114.58 116.31 1yop h GLU 66 Ca -0.06 -0.32 0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1yop h GLU 66 Cb 1.42 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1yop h GLU 66 CO 0.16 0.93 0.30 1.88 -1.00 0.00 0.00 179.01 181.28 1yop h TYR 67 N 0.34 0.00 -0.41 4.33 0.05 0.14 0.51 116.97 121.93 1yop h TYR 67 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1yop h TYR 67 Cb 1.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 1yop h TYR 67 CO 0.04 0.00 0.24 1.88 -1.05 0.00 0.00 178.16 179.27 1yop h TYR 68 N 0.00 0.54 0.08 4.88 0.05 -1.63 0.49 116.97 121.38 1yop h TYR 68 Ca 0.17 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.62 1yop h TYR 68 Cb 0.78 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 1yop h TYR 68 CO 0.00 0.37 -1.91 -1.91 -1.05 0.00 0.00 178.16 173.66 1yop n GLU 69 N -4.44 0.71 0.04 4.88 4.07 0.03 -4.24 120.64 121.69 1yop n GLU 69 Ca 0.03 0.27 -0.07 0.00 -0.06 0.00 0.00 57.16 57.33 1yop n GLU 69 Cb 0.09 -1.73 0.10 0.00 -0.06 0.00 0.00 31.44 29.83 1yop n GLU 69 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1yop h GLU 70 N 0.05 0.42 -6.31 5.31 3.07 -0.93 -3.44 114.58 112.74 1yop h GLU 70 Ca -0.38 -0.26 -0.56 0.00 -0.50 0.00 0.00 59.36 57.66 1yop h GLU 70 Cb 2.03 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.93 1yop h GLU 70 CO 0.08 0.86 -0.19 0.00 -1.40 0.00 0.00 179.01 178.36 1yop s ALA 71 N -3.95 3.65 -0.91 3.43 0.00 0.17 -5.02 121.76 119.14 1yop s ALA 71 Ca -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1yop s ALA 71 Cb 0.12 -2.33 0.34 0.00 0.00 0.00 0.00 23.12 21.25 1yop s ALA 71 CO 0.82 0.56 1.83 0.41 0.00 0.00 0.00 175.76 179.38 1yop n GLY 72 N 0.13 5.86 0.28 0.00 0.00 -1.26 -4.74 105.19 105.45 1yop n GLY 72 Ca -0.02 -2.56 0.04 0.00 0.00 0.00 0.00 46.02 43.48 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 2.18 1.12 -3.62 -0.61 6.09 -1.87 -3.33 117.51 117.47 1yop h ILE 73 Ca 0.52 -0.39 -0.74 0.00 -1.37 0.00 0.00 64.86 62.88 1yop h ILE 73 Cb 0.23 0.83 -0.31 0.00 0.47 0.00 0.00 36.82 38.04 1yop h ILE 73 CO 1.25 0.14 -0.09 -1.00 -3.07 0.00 0.00 178.15 175.39 1yop s HIS 74 N -5.15 3.67 -0.31 2.19 3.76 -1.26 -5.05 115.29 113.14 1yop s HIS 74 Ca -0.07 -2.51 -0.29 0.00 -0.15 0.00 0.00 55.06 52.05 1yop s HIS 74 Cb 0.17 -3.48 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 1yop s HIS 74 CO 0.72 -0.89 1.68 -1.25 -0.85 0.00 0.00 174.74 174.16 1yop s PRO 75 N -0.29 3.51 1.04 8.40 0.04 -1.25 -5.01 135.00 141.44 1yop s PRO 75 Ca 0.20 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 1yop s PRO 75 Cb -0.14 -4.12 0.25 0.00 0.04 0.00 0.00 34.50 30.53 1yop s PRO 75 CO -0.07 -1.64 0.99 -0.35 0.04 0.00 0.00 177.00 175.96 1yop n PRO 76 N 8.16 -2.58 0.16 0.56 -0.04 -1.26 -5.02 135.00 134.97 1yop n PRO 76 Ca 0.21 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1yop n PRO 76 Cb 0.46 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1yop n PRO 76 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yop n GLU 77 N -4.26 0.00 -1.09 0.54 1.02 -1.26 -5.01 120.64 110.58 1yop n GLU 77 Ca 0.13 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.93 1yop n GLU 77 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 1yop n GLU 77 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1yop n PRO 78 N -3.31 2.13 -3.48 3.49 -0.04 -1.26 -4.69 135.00 127.84 1yop n PRO 78 Ca 0.00 -1.84 -0.28 0.00 -0.04 0.00 0.00 63.50 61.34 1yop n PRO 78 Cb 0.00 -2.78 -0.12 0.00 -0.04 0.00 0.00 33.50 30.56 1yop n PRO 78 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1yop s ILE 79 N 3.87 0.42 -0.58 0.52 -4.36 -1.26 -4.96 121.20 114.85 1yop s ILE 79 Ca 0.50 -2.17 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 1yop s ILE 79 Cb 0.13 -1.31 0.01 0.00 1.25 0.00 0.00 42.46 42.54 1yop s ILE 79 CO 0.01 -1.06 0.65 0.00 0.24 0.00 0.00 174.94 174.79 1yop n ALA 80 N 3.56 -2.75 -1.03 2.27 0.00 -1.26 -4.80 120.51 116.51 1yop n ALA 80 Ca 0.17 0.56 0.07 0.00 0.00 0.00 0.00 53.44 54.25 1yop n ALA 80 Cb 0.40 -2.58 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 1yop n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop n ALA 81 N -1.04 -1.41 -3.64 0.00 0.00 -1.26 -5.00 120.51 108.16 1yop n ALA 81 Ca 0.03 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 1yop n ALA 81 Cb 0.50 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 1yop n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yop s ALA 82 N -1.94 -2.14 0.00 0.00 0.00 -1.26 -4.81 121.76 111.61 1yop s ALA 82 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1yop s ALA 82 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1yop s ALA 82 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50