#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yop n VAL 2 N 0.00 3.23 -2.94 1.12 0.31 -1.26 -4.94 118.33 113.85 1yop n VAL 2 Ca 0.00 -3.78 -0.10 0.00 -0.01 0.00 0.00 64.34 60.44 1yop n VAL 2 Cb 0.00 -1.19 0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1yop n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1yop n SER 3 N -0.73 -7.56 -1.25 4.52 2.88 -1.26 -4.82 113.62 105.41 1yop n SER 3 Ca 0.54 0.63 0.16 0.00 -1.33 0.00 0.00 58.87 58.87 1yop n SER 3 Cb 0.63 -4.65 -0.05 0.00 -0.75 0.00 0.00 64.21 59.39 1yop n SER 3 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1yop n THR 4 N 0.02 0.00 -0.03 2.46 -2.24 -1.26 -4.88 114.28 108.35 1yop n THR 4 Ca 0.06 0.29 -0.04 0.00 -2.27 0.00 0.00 64.05 62.09 1yop n THR 4 Cb 0.40 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.98 0.00 -3.87 4.78 4.02 -1.24 -4.86 117.16 112.01 1yop n TYR 5 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.77 1yop n TYR 5 Cb 0.58 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 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 -4.39 0.10 -0.00 7.72 -1.08 -1.26 -5.12 116.67 112.64 1yop s ASP 6 Ca -0.07 -1.10 0.07 0.00 -0.52 0.00 0.00 52.55 50.93 1yop s ASP 6 Cb 0.02 0.79 -0.02 0.00 -1.46 0.00 0.00 42.92 42.25 1yop s ASP 6 CO 0.17 -1.54 -0.23 -1.83 0.52 0.00 0.00 175.17 172.27 1yop s GLU 7 N -2.81 1.77 0.15 4.34 -1.05 -1.26 -3.02 118.70 116.83 1yop s GLU 7 Ca 0.18 -0.85 0.08 0.00 -0.15 0.00 0.00 54.97 54.23 1yop s GLU 7 Cb -0.04 -1.75 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 1yop s GLU 7 CO 0.12 0.47 -0.18 0.42 0.95 0.00 0.00 175.26 177.05 1yop s ILE 8 N -0.58 1.72 0.10 1.83 1.01 -0.47 -5.00 121.20 119.81 1yop s ILE 8 Ca 0.09 -1.85 0.05 0.00 0.00 0.00 0.00 60.65 58.94 1yop s ILE 8 Cb -0.09 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1yop s ILE 8 CO -0.00 -0.31 0.00 -1.61 0.00 0.00 0.00 174.94 173.02 1yop s GLU 9 N -2.69 2.53 0.54 2.79 2.02 -1.26 0.28 118.70 122.90 1yop s GLU 9 Ca 0.14 -0.87 0.21 0.00 0.02 0.00 0.00 54.97 54.46 1yop s GLU 9 Cb -0.06 -2.52 1.41 0.00 0.10 0.00 0.00 34.13 33.06 1yop s GLU 9 CO 0.06 0.53 2.14 0.97 0.02 0.00 0.00 175.26 178.98 1yop h ILE 10 N 2.82 0.84 -0.27 -1.63 2.10 -0.99 -1.61 117.51 118.77 1yop h ILE 10 Ca -0.48 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.51 1yop h ILE 10 Cb 1.17 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1yop h ILE 10 CO 0.59 0.00 0.19 -0.33 -1.08 0.00 0.00 178.15 177.52 1yop h GLU 11 N 0.00 0.14 -0.95 2.19 5.08 -1.95 -0.81 114.58 118.27 1yop h GLU 11 Ca 0.04 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.08 1yop h GLU 11 Cb 0.18 -0.03 -0.19 0.00 0.50 0.00 0.00 28.75 29.21 1yop h GLU 11 CO -0.00 0.09 0.40 -0.25 -1.00 0.00 0.00 179.01 178.25 1yop n ASP 12 N -4.48 3.68 -4.53 1.42 9.92 -0.60 -4.93 116.55 117.03 1yop n ASP 12 Ca 0.03 -3.08 -0.25 0.00 -0.53 0.00 0.00 54.79 50.96 1yop n ASP 12 Cb 0.24 -0.73 -0.11 0.00 -0.64 0.00 0.00 41.12 39.89 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 -2.36 1.78 -0.29 -1.24 1.75 -0.31 -4.96 119.30 113.68 1yop s MET 13 Ca 0.41 -1.96 -0.08 0.00 -1.25 0.00 0.00 55.69 52.80 1yop s MET 13 Cb 0.34 -1.41 -0.01 0.00 2.84 0.00 0.00 34.83 36.59 1yop s MET 13 CO 0.08 -0.01 0.11 0.99 -0.65 0.00 0.00 175.02 175.55 1yop s THR 14 N -2.86 4.44 0.09 10.11 2.01 -1.01 -5.01 115.64 123.41 1yop s THR 14 Ca 0.33 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 1yop s THR 14 Cb 0.06 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1yop s THR 14 CO 0.16 0.17 0.35 0.72 -0.69 0.00 0.00 174.62 175.33 1yop s PHE 15 N 1.60 3.52 0.01 4.92 -0.12 -1.26 -2.46 117.98 124.19 1yop s PHE 15 Ca 0.05 0.59 -0.07 0.00 -0.05 0.00 0.00 56.93 57.45 1yop s PHE 15 Cb -0.16 -2.02 -0.00 0.00 -0.63 0.00 0.00 43.02 40.21 1yop s PHE 15 CO 0.05 0.50 0.13 -1.21 -0.05 0.00 0.00 175.22 174.64 1yop s GLU 16 N -2.29 0.48 0.24 1.99 2.02 -0.90 -5.00 118.70 115.25 1yop s GLU 16 Ca 0.36 -0.43 0.25 0.00 0.02 0.00 0.00 54.97 55.16 1yop s GLU 16 Cb -0.13 0.20 0.92 0.00 0.10 0.00 0.00 34.13 35.22 1yop s GLU 16 CO 0.22 -0.11 1.74 -0.35 0.02 0.00 0.00 175.26 176.77 1yop n PRO 17 N 1.41 0.22 -2.03 0.39 -0.04 -1.26 -2.81 135.00 130.88 1yop n PRO 17 Ca -0.23 0.34 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 1yop n PRO 17 Cb 0.56 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1yop n PRO 17 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1yop s GLU 18 N -3.24 2.41 -1.37 0.54 -1.05 -1.26 -3.29 118.70 111.43 1yop s GLU 18 Ca 0.07 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 1yop s GLU 18 Cb 0.10 -5.18 0.00 0.00 -0.44 0.00 0.00 34.13 28.61 1yop s GLU 18 CO 0.47 -3.96 0.00 0.09 0.95 0.00 0.00 175.26 172.81 1yop n ASN 19 N 14.71 -4.55 -3.10 0.83 3.02 -1.26 -3.92 115.26 120.99 1yop n ASN 19 Ca 0.44 0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 55.14 1yop n ASN 19 Cb 0.47 -3.24 0.01 0.00 -0.61 0.00 0.00 39.78 36.41 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 -2.59 -2.04 -4.67 3.52 6.02 -1.17 -4.71 117.38 111.73 1yop n GLN 20 Ca -0.13 1.76 -0.31 0.00 -0.01 0.00 0.00 57.00 58.31 1yop n GLN 20 Cb 0.44 -4.64 -0.13 0.00 1.02 0.00 0.00 30.24 26.94 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 -2.81 2.02 -0.40 -1.09 0.23 -1.12 -2.41 119.30 113.71 1yop s MET 21 Ca 0.22 -1.01 0.02 0.00 -1.03 0.00 0.00 55.69 53.90 1yop s MET 21 Cb -0.05 -2.16 0.12 0.00 -1.53 0.00 0.00 34.83 31.21 1yop s MET 21 CO 0.80 0.53 0.16 -0.06 -2.03 0.00 0.00 175.02 174.43 1yop s PHE 22 N -0.92 2.59 0.14 3.16 0.40 0.11 -2.11 117.98 121.35 1yop s PHE 22 Ca 0.14 -2.55 -0.12 0.00 -0.60 0.00 0.00 56.93 53.80 1yop s PHE 22 Cb -0.10 -2.29 -0.07 0.00 0.51 0.00 0.00 43.02 41.07 1yop s PHE 22 CO 0.05 -0.84 0.50 0.95 0.70 0.00 0.00 175.22 176.58 1yop s THR 23 N 0.67 4.96 -0.04 0.64 -4.23 -1.03 -3.01 115.64 113.59 1yop s THR 23 Ca 0.14 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 1yop s THR 23 Cb -0.22 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 69.96 1yop s THR 23 CO -0.08 0.19 0.10 -0.47 -0.54 0.00 0.00 174.62 173.82 1yop s TYR 24 N -1.52 -0.11 -0.56 3.99 6.14 -1.18 -2.41 117.35 121.71 1yop s TYR 24 Ca 0.38 0.29 -0.26 0.00 0.64 0.00 0.00 57.07 58.12 1yop s TYR 24 Cb -0.14 -0.01 -0.04 0.00 0.42 0.00 0.00 41.96 42.19 1yop s TYR 24 CO 0.19 -0.08 2.12 -1.25 0.64 0.00 0.00 175.55 177.17 1yop s PRO 25 N 0.36 2.38 0.32 4.97 0.04 -1.26 0.61 135.00 142.42 1yop s PRO 25 Ca -0.03 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1yop s PRO 25 Cb -0.04 -4.48 -0.10 0.00 0.04 0.00 0.00 34.50 29.92 1yop s PRO 25 CO -0.01 -2.99 1.35 0.00 0.04 0.00 0.00 177.00 175.39 1yop h PRO 27 N 3.67 0.00 -0.41 0.00 0.11 -1.93 -0.64 132.00 132.80 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 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yop h PRO 27 CO 0.68 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.22 1yop n GLY 29 N -0.14 2.46 1.79 0.00 0.00 -0.25 -5.06 105.19 104.01 1yop n GLY 29 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.46 -4.23 1.61 2.03 -1.26 -4.68 116.55 109.56 1yop n ASP 30 Ca 0.00 -1.10 -0.29 0.00 0.52 0.00 0.00 54.79 53.92 1yop n ASP 30 Cb 0.00 -0.49 -0.16 0.00 -0.72 0.00 0.00 41.12 39.75 1yop n ASP 30 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1yop s ARG 31 N -4.33 2.08 1.03 -0.67 0.52 -1.26 0.14 118.95 116.46 1yop s ARG 31 Ca 0.35 -0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 1yop s ARG 31 Cb -0.02 -1.87 0.20 0.00 0.52 0.00 0.00 34.95 33.79 1yop s ARG 31 CO 0.26 0.40 1.07 -0.06 0.02 0.00 0.00 175.30 176.99 1yop s PHE 32 N -0.29 1.88 -0.31 -0.53 0.08 0.20 -4.77 117.98 114.24 1yop s PHE 32 Ca 0.02 1.16 0.04 0.00 0.12 0.00 0.00 56.93 58.27 1yop s PHE 32 Cb -0.11 -3.19 0.17 0.00 -0.57 0.00 0.00 43.02 39.32 1yop s PHE 32 CO 0.01 -3.10 0.47 1.14 -0.10 0.00 0.00 175.22 173.64 1yop s GLN 33 N -4.78 0.52 0.13 0.44 -2.07 -1.26 -3.12 119.66 109.52 1yop s GLN 33 Ca 0.66 0.05 0.09 0.00 -1.82 0.00 0.00 55.36 54.33 1yop s GLN 33 Cb -0.21 -0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.48 1yop s GLN 33 CO 0.60 -1.08 -0.21 -1.50 -1.32 0.00 0.00 175.29 171.78 1yop s ILE 34 N 2.38 1.86 0.12 3.63 2.07 -1.16 -4.95 121.20 125.15 1yop s ILE 34 Ca 0.11 -1.70 0.03 0.00 -1.41 0.00 0.00 60.65 57.68 1yop s ILE 34 Cb -0.11 -1.73 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 1yop s ILE 34 CO -0.23 -0.10 0.19 -0.31 -1.91 0.00 0.00 174.94 172.57 1yop s TYR 35 N -1.39 3.35 0.18 3.50 1.51 -1.26 0.05 117.35 123.29 1yop s TYR 35 Ca 0.11 0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 56.16 1yop s TYR 35 Cb -0.09 -1.64 0.10 0.00 -0.11 0.00 0.00 41.96 40.22 1yop s TYR 35 CO 0.05 0.54 1.80 -0.07 -1.11 0.00 0.00 175.55 176.76 1yop h LEU 36 N 2.68 0.79 -1.18 -1.29 3.38 -1.76 -2.49 115.31 115.44 1yop h LEU 36 Ca -0.47 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1yop h LEU 36 Cb 1.18 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1yop h LEU 36 CO 0.69 0.66 0.52 0.44 0.09 0.00 0.00 178.44 180.83 1yop h ASP 37 N 0.86 0.94 0.65 -0.43 5.19 -1.92 -0.01 116.42 121.70 1yop h ASP 37 Ca 0.22 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 1yop h ASP 37 Cb 0.04 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1yop h ASP 37 CO -0.04 0.69 -0.35 0.44 -3.12 0.00 0.00 179.24 176.87 1yop h ASP 38 N 1.10 -0.86 -0.70 6.45 3.32 -1.86 -1.53 116.42 122.34 1yop h ASP 38 Ca 0.29 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1yop h ASP 38 Cb -0.10 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1yop h ASP 38 CO -0.06 -0.57 0.39 0.24 -1.72 0.00 0.00 179.24 177.52 1yop h MET 39 N -0.93 0.99 -0.90 3.56 2.86 -1.34 -2.31 114.93 116.87 1yop h MET 39 Ca -0.08 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1yop h MET 39 Cb 0.73 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 1yop h MET 39 CO 0.12 0.73 0.59 0.35 1.06 0.00 0.00 176.91 179.75 1yop h PHE 40 N 1.00 1.07 -0.43 -0.22 3.57 -0.76 -2.19 116.94 118.98 1yop h PHE 40 Ca 0.25 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1yop h PHE 40 Cb 0.02 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1yop h PHE 40 CO 0.01 0.59 0.22 1.49 -2.23 0.00 0.00 178.31 178.39 1yop h GLU 41 N 1.08 0.61 0.00 1.11 4.57 -0.70 -3.45 114.58 117.79 1yop h GLU 41 Ca 0.37 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1yop h GLU 41 Cb 0.11 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1yop h GLU 41 CO -0.13 0.51 0.00 0.41 -1.18 0.00 0.00 179.01 178.62 1yop n GLY 42 N -0.93 0.00 3.91 1.92 0.00 -0.85 -5.14 105.19 104.10 1yop n GLY 42 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.46 0.00 1.61 2.56 -1.06 -4.96 118.70 120.31 1yop s GLU 43 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 54.64 1yop s GLU 43 Cb 0.00 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 33.07 1yop s GLU 43 CO 0.00 0.64 0.00 1.63 -0.56 0.00 0.00 175.26 176.97 1yop n LYS 44 N 0.67 0.00 -3.61 4.30 5.02 -1.26 -4.81 118.16 118.48 1yop n LYS 44 Ca -0.08 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1yop n LYS 44 Cb 0.52 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 1yop n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yop s VAL 45 N -1.80 4.20 0.65 -0.18 1.01 -1.26 -1.62 120.40 121.40 1yop s VAL 45 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1yop s VAL 45 Cb 0.00 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.88 1yop s VAL 45 CO 0.00 -0.52 0.90 0.00 0.00 0.00 0.00 175.10 175.48 1yop s ALA 46 N 1.41 3.82 -0.06 5.51 0.00 -1.16 -4.89 121.76 126.39 1yop s ALA 46 Ca 0.03 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.41 1yop s ALA 46 Cb -0.23 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 20.90 1yop s ALA 46 CO 0.02 -1.15 -0.02 0.54 0.00 0.00 0.00 175.76 175.15 1yop s VAL 47 N -2.97 0.46 0.22 0.00 0.11 -1.26 -3.07 120.40 113.88 1yop s VAL 47 Ca 0.62 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.39 1yop s VAL 47 Cb -0.07 -0.56 -0.09 0.00 -1.53 0.00 0.00 36.38 34.13 1yop s VAL 47 CO 0.42 0.25 1.27 0.00 -3.33 0.00 0.00 175.10 173.70 1yop n PRO 49 N 2.23 1.76 0.05 0.00 -0.04 -1.26 -1.68 135.00 136.06 1yop n PRO 49 Ca 0.04 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1yop n PRO 49 Cb 0.43 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.31 0.01 3.54 2.88 -1.26 -4.88 113.62 114.35 1yop n SER 50 Ca 0.06 0.17 0.11 0.00 -1.33 0.00 0.00 58.87 57.89 1yop n SER 50 Cb 0.48 -0.00 -0.12 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 -2.14 -5.38 -4.69 0.00 3.41 -0.68 -5.00 113.62 99.14 1yop n SER 52 Ca -0.02 -0.31 -0.35 0.00 -0.26 0.00 0.00 58.87 57.93 1yop n SER 52 Cb 0.51 -4.13 -0.09 0.00 -0.26 0.00 0.00 64.21 60.24 1yop n SER 52 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yop s LEU 53 N -5.73 4.01 0.07 1.04 1.98 -1.26 -4.81 118.68 113.98 1yop s LEU 53 Ca 0.34 0.17 -0.26 0.00 -2.89 0.00 0.00 54.13 51.49 1yop s LEU 53 Cb -0.15 -2.02 -0.06 0.00 0.66 0.00 0.00 46.19 44.62 1yop s LEU 53 CO 0.42 0.19 0.80 -0.04 -1.89 0.00 0.00 176.35 175.83 1yop s MET 54 N 0.27 4.53 -0.02 1.98 -1.94 -1.26 -3.32 119.30 119.55 1yop s MET 54 Ca 0.06 1.13 0.01 0.00 -1.71 0.00 0.00 55.69 55.18 1yop s MET 54 Cb -0.12 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.38 1yop s MET 54 CO -0.01 0.31 -0.02 0.96 -0.01 0.00 0.00 175.02 176.25 1yop s ILE 55 N -0.17 0.23 -0.69 2.53 -5.25 -1.17 -3.64 121.20 113.03 1yop s ILE 55 Ca 0.39 -0.02 -0.26 0.00 -0.99 0.00 0.00 60.65 59.77 1yop s ILE 55 Cb -0.21 -0.26 0.04 0.00 2.95 0.00 0.00 42.46 44.98 1yop s ILE 55 CO 0.24 0.12 1.17 -1.81 -1.79 0.00 0.00 174.94 172.87 1yop s ASP 56 N 0.53 6.20 -0.30 4.36 1.01 -1.17 -2.99 116.67 124.31 1yop s ASP 56 Ca -0.05 -0.53 -0.10 0.00 0.71 0.00 0.00 52.55 52.59 1yop s ASP 56 Cb -0.08 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1yop s ASP 56 CO -0.01 -1.67 0.15 0.54 0.21 0.00 0.00 175.17 174.39 1yop s VAL 57 N 5.14 4.65 0.06 -1.27 0.11 -0.64 -1.37 120.40 127.08 1yop s VAL 57 Ca 0.32 -0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 58.84 1yop s VAL 57 Cb -0.10 -3.33 -0.06 0.00 -1.53 0.00 0.00 36.38 31.35 1yop s VAL 57 CO 0.15 0.12 0.64 0.54 -3.33 0.00 0.00 175.10 173.22 1yop s VAL 58 N 1.63 4.73 0.44 2.04 0.11 0.14 -4.72 120.40 124.77 1yop s VAL 58 Ca 0.05 1.37 0.03 0.00 -2.93 0.00 0.00 61.98 60.51 1yop s VAL 58 Cb -0.17 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 1yop s VAL 58 CO 0.06 0.48 0.06 0.72 -3.33 0.00 0.00 175.10 173.09 1yop s PHE 59 N -0.66 1.94 0.20 1.54 -0.71 -1.26 -0.26 117.98 118.78 1yop s PHE 59 Ca 0.32 -1.03 0.09 0.00 -1.04 0.00 0.00 56.93 55.27 1yop s PHE 59 Cb -0.20 -1.43 -0.04 0.00 -1.21 0.00 0.00 43.02 40.14 1yop s PHE 59 CO 0.20 0.04 -0.07 -0.51 -1.34 0.00 0.00 175.22 173.54 1yop s ASP 60 N -3.71 4.33 -0.19 1.98 1.11 -1.26 -4.95 116.67 113.99 1yop s ASP 60 Ca 0.20 -0.60 -0.11 0.00 0.18 0.00 0.00 52.55 52.22 1yop s ASP 60 Cb 0.04 -0.76 -0.21 0.00 1.07 0.00 0.00 42.92 43.07 1yop s ASP 60 CO 0.11 0.08 0.13 0.29 1.18 0.00 0.00 175.17 176.95 1yop n LYS 61 N -0.21 0.66 -0.16 8.23 5.02 -1.26 -4.17 118.16 126.26 1yop n LYS 61 Ca -0.09 0.34 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 1yop n LYS 61 Cb 0.56 -1.66 0.36 0.00 -0.02 0.00 0.00 35.03 34.27 1yop n LYS 61 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1yop h GLU 62 N -0.42 0.72 0.05 1.97 4.11 -2.00 -2.47 114.58 116.54 1yop h GLU 62 Ca -0.46 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 58.95 1yop h GLU 62 Cb 1.73 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 1yop h GLU 62 CO -0.10 0.47 -0.20 -0.44 0.07 0.00 0.00 179.01 178.81 1yop h ASP 63 N 0.74 -0.59 -0.97 3.06 5.19 -2.01 -1.92 116.42 119.92 1yop h ASP 63 Ca 0.30 0.08 0.11 0.00 -0.62 0.00 0.00 57.03 56.89 1yop h ASP 63 Cb 0.22 0.24 -0.08 0.00 0.18 0.00 0.00 39.33 39.89 1yop h ASP 63 CO -0.09 -0.28 0.62 -0.07 -3.12 0.00 0.00 179.24 176.30 1yop h LEU 64 N -0.35 0.90 0.88 1.55 4.07 -1.61 0.34 115.31 121.09 1yop h LEU 64 Ca 0.04 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1yop h LEU 64 Cb 0.41 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1yop h LEU 64 CO -0.16 0.51 -0.49 0.00 -1.08 0.00 0.00 178.44 177.23 1yop h ALA 65 N 1.53 -1.31 -0.73 1.53 0.00 -1.13 0.49 119.26 119.65 1yop h ALA 65 Ca 0.46 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1yop h ALA 65 Cb 0.42 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1yop h ALA 65 CO -0.22 -1.25 0.25 0.93 0.00 0.00 0.00 179.25 178.96 1yop h GLU 66 N -1.27 1.11 0.47 0.00 5.08 -1.12 0.34 114.58 119.20 1yop h GLU 66 Ca -0.12 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1yop h GLU 66 Cb 0.99 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1yop h GLU 66 CO 0.15 0.94 -0.23 1.88 -1.00 0.00 0.00 179.01 180.76 1yop h TYR 67 N 1.06 -0.59 -0.55 4.33 -1.99 -0.25 -1.68 116.97 117.31 1yop h TYR 67 Ca 0.24 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1yop h TYR 67 Cb 0.27 0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 1yop h TYR 67 CO 0.02 -0.30 0.30 -0.92 -0.00 0.00 0.00 178.16 177.27 1yop h TYR 68 N -0.79 0.75 -0.22 4.88 5.03 0.01 -0.78 116.97 125.85 1yop h TYR 68 Ca -0.06 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.28 1yop h TYR 68 Cb 0.56 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 1yop h TYR 68 CO -0.01 0.55 0.16 1.49 -1.32 0.00 0.00 178.16 179.03 1yop h GLU 69 N 0.74 0.05 -2.09 1.82 4.81 -0.91 -3.08 114.58 115.92 1yop h GLU 69 Ca 0.19 -0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.89 1yop h GLU 69 Cb 0.04 -0.01 -0.41 0.00 0.63 0.00 0.00 28.75 29.00 1yop h GLU 69 CO -0.03 0.03 -0.94 0.39 -0.73 0.00 0.00 179.01 177.73 1yop n GLU 70 N -4.48 2.03 -4.19 1.92 1.02 -0.63 -5.07 120.64 111.24 1yop n GLU 70 Ca 0.02 -4.06 -0.16 0.00 -0.02 0.00 0.00 57.16 52.94 1yop n GLU 70 Cb 0.27 -1.94 -0.15 0.00 -0.02 0.00 0.00 31.44 29.60 1yop n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yop s ALA 71 N -2.93 0.49 -0.70 0.62 0.00 -0.37 -4.83 121.76 114.04 1yop s ALA 71 Ca 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1yop s ALA 71 Cb 0.32 -0.14 0.28 0.00 0.00 0.00 0.00 23.12 23.58 1yop s ALA 71 CO -0.11 0.11 2.23 0.41 0.00 0.00 0.00 175.76 178.40 1yop n GLY 72 N 3.01 5.19 3.59 0.00 0.00 -1.26 -4.98 105.19 110.73 1yop n GLY 72 Ca -0.14 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.35 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 -4.16 1.64 0.10 -0.61 -4.36 -1.21 -4.78 121.20 107.82 1yop s ILE 73 Ca 0.54 0.00 -0.35 0.00 -0.26 0.00 0.00 60.65 60.58 1yop s ILE 73 Cb 0.42 -2.47 -0.16 0.00 1.25 0.00 0.00 42.46 41.50 1yop s ILE 73 CO -0.30 0.00 1.56 0.45 0.24 0.00 0.00 174.94 176.90 1yop h HIS 74 N -2.52 -1.47 -3.14 1.37 3.86 -1.92 -3.39 115.15 107.94 1yop h HIS 74 Ca -0.46 0.03 -0.57 0.00 -1.16 0.00 0.00 60.37 58.20 1yop h HIS 74 Cb 1.30 0.60 -0.05 0.00 1.06 0.00 0.00 27.41 30.32 1yop h HIS 74 CO -1.83 -0.64 1.09 -1.25 0.86 0.00 0.00 177.93 176.16 1yop s PRO 75 N -5.83 3.61 1.03 2.45 0.04 -1.26 -5.02 135.00 130.03 1yop s PRO 75 Ca -0.17 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.80 1yop s PRO 75 Cb 0.05 -4.03 0.25 0.00 0.04 0.00 0.00 34.50 30.82 1yop s PRO 75 CO 0.61 -1.52 0.99 -0.35 0.04 0.00 0.00 177.00 176.77 1yop n PRO 76 N 7.98 -2.57 -3.77 0.56 -0.04 -1.26 -5.05 135.00 130.85 1yop n PRO 76 Ca 0.17 -1.57 -0.30 0.00 -0.04 0.00 0.00 63.50 61.77 1yop n PRO 76 Cb 0.47 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 1yop n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1yop s GLU 77 N -5.22 1.40 -0.72 0.54 2.12 -1.26 -5.07 118.70 110.48 1yop s GLU 77 Ca 0.62 -2.07 -0.26 0.00 0.36 0.00 0.00 54.97 53.63 1yop s GLU 77 Cb -0.05 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 1yop s GLU 77 CO 0.47 -1.13 1.98 -1.25 -0.54 0.00 0.00 175.26 174.79 1yop s PRO 78 N 0.32 2.48 -0.35 4.30 0.04 -1.26 -4.88 135.00 135.65 1yop s PRO 78 Ca 0.17 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1yop s PRO 78 Cb -0.24 -4.68 0.14 0.00 0.04 0.00 0.00 34.50 29.76 1yop s PRO 78 CO -0.01 -3.13 0.22 0.96 0.04 0.00 0.00 177.00 175.08 1yop s ILE 79 N 10.10 0.07 -0.30 0.56 -4.36 -1.26 -5.01 121.20 121.01 1yop s ILE 79 Ca 0.73 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 59.52 1yop s ILE 79 Cb -0.11 -1.06 0.00 0.00 1.25 0.00 0.00 42.46 42.55 1yop s ILE 79 CO 0.12 -0.94 0.02 0.00 0.24 0.00 0.00 174.94 174.39 1yop n ALA 80 N 4.12 -3.52 -2.62 2.27 0.00 -1.26 -5.05 120.51 114.46 1yop n ALA 80 Ca 0.11 0.66 -0.22 0.00 0.00 0.00 0.00 53.44 53.99 1yop n ALA 80 Cb 0.38 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.55 3.72 0.20 0.00 0.00 -1.26 -5.14 121.76 117.73 1yop s ALA 81 Ca -0.02 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 50.43 1yop s ALA 81 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1yop s ALA 81 CO 0.79 0.10 0.06 0.00 0.00 0.00 0.00 175.76 176.71 1yop s ALA 82 N -2.25 3.34 0.00 0.00 0.00 -1.26 -5.28 121.76 116.31 1yop s ALA 82 Ca 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1yop s ALA 82 Cb -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1yop s ALA 82 CO 0.26 0.41 0.00 0.00 0.00 0.00 0.00 175.76 176.42