#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 3.61 -0.40 2.03 1.01 -1.26 -5.02 120.40 120.37 1yop s VAL 2 Ca 0.00 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1yop s VAL 2 Cb 0.00 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1yop s VAL 2 CO 0.00 0.37 0.23 -0.44 0.00 0.00 0.00 175.10 175.26 1yop s SER 3 N -0.86 5.66 0.36 3.32 0.01 -1.26 -5.05 113.70 115.88 1yop s SER 3 Ca 0.44 -1.26 -0.08 0.00 1.31 0.00 0.00 55.95 56.36 1yop s SER 3 Cb -0.31 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 63.95 1yop s SER 3 CO 0.39 -0.46 0.62 -0.89 0.41 0.00 0.00 173.24 173.31 1yop s THR 4 N 1.48 0.00 -0.18 1.44 2.01 -1.26 -4.91 115.64 114.22 1yop s THR 4 Ca 0.02 -1.33 -0.03 0.00 0.31 0.00 0.00 61.69 60.66 1yop s THR 4 Cb -0.21 -2.75 -0.10 0.00 0.01 0.00 0.00 72.50 69.45 1yop s THR 4 CO 0.04 0.00 -0.18 -1.22 -0.69 0.00 0.00 174.62 172.57 1yop n TYR 5 N -0.55 0.00 -4.00 4.92 4.02 -0.91 -5.03 117.16 115.61 1yop n TYR 5 Ca -0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.74 1yop n TYR 5 Cb 0.61 -0.67 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 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 -6.04 0.38 -0.11 7.72 1.01 -1.26 -5.06 116.67 113.32 1yop s ASP 6 Ca -0.24 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 51.80 1yop s ASP 6 Cb 0.07 0.67 0.02 0.00 1.01 0.00 0.00 42.92 44.70 1yop s ASP 6 CO 0.37 -1.32 -0.11 -0.70 0.21 0.00 0.00 175.17 173.63 1yop s GLU 7 N -3.25 1.78 0.20 8.23 2.12 -1.26 -0.15 118.70 126.37 1yop s GLU 7 Ca 0.25 -0.37 0.11 0.00 0.36 0.00 0.00 54.97 55.32 1yop s GLU 7 Cb -0.01 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.65 1yop s GLU 7 CO 0.15 -0.18 -0.23 0.42 -0.54 0.00 0.00 175.26 174.87 1yop s ILE 8 N 1.38 2.33 0.12 -3.70 -1.09 0.92 -4.95 121.20 116.21 1yop s ILE 8 Ca -0.00 -2.08 0.07 0.00 -2.23 0.00 0.00 60.65 56.41 1yop s ILE 8 Cb -0.13 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1yop s ILE 8 CO -0.06 -0.17 -0.08 -1.83 -1.23 0.00 0.00 174.94 171.58 1yop s GLU 9 N -2.79 2.18 0.47 2.79 -1.05 -1.26 0.40 118.70 119.44 1yop s GLU 9 Ca 0.22 -1.05 0.14 0.00 -0.15 0.00 0.00 54.97 54.13 1yop s GLU 9 Cb -0.07 -2.31 1.12 0.00 -0.44 0.00 0.00 34.13 32.42 1yop s GLU 9 CO 0.10 0.50 2.07 0.97 0.95 0.00 0.00 175.26 179.85 1yop h ILE 10 N 3.08 0.98 -0.06 1.83 2.10 -0.99 -1.00 117.51 123.45 1yop h ILE 10 Ca -0.48 -0.08 -0.07 0.00 1.08 0.00 0.00 64.86 65.30 1yop h ILE 10 Cb 1.17 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 1yop h ILE 10 CO 0.54 0.04 -0.28 -0.33 -1.08 0.00 0.00 178.15 177.04 1yop h GLU 11 N 0.24 0.10 -1.08 2.19 5.08 -1.96 -2.80 114.58 116.35 1yop h GLU 11 Ca 0.13 -0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.86 1yop h GLU 11 Cb 0.20 -0.01 -0.26 0.00 0.50 0.00 0.00 28.75 29.17 1yop h GLU 11 CO -0.02 0.38 0.76 -3.47 -1.00 0.00 0.00 179.01 175.66 1yop n ASP 12 N -4.17 6.87 -4.28 1.42 2.03 -0.38 -4.93 116.55 113.11 1yop n ASP 12 Ca -0.02 -3.62 -0.18 0.00 0.52 0.00 0.00 54.79 51.49 1yop n ASP 12 Cb 0.36 -0.96 -0.11 0.00 -0.72 0.00 0.00 41.12 39.68 1yop n ASP 12 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1yop s MET 13 N -3.38 1.12 -0.49 -0.67 -1.94 -1.06 -4.80 119.30 108.08 1yop s MET 13 Ca 0.57 -1.35 -0.24 0.00 -1.71 0.00 0.00 55.69 52.97 1yop s MET 13 Cb 0.46 -0.98 0.03 0.00 2.01 0.00 0.00 34.83 36.34 1yop s MET 13 CO 0.01 0.18 0.86 0.99 -0.01 0.00 0.00 175.02 177.05 1yop s THR 14 N -2.38 4.53 0.11 2.05 2.01 -0.27 -4.93 115.64 116.76 1yop s THR 14 Ca 0.13 0.38 -0.24 0.00 0.31 0.00 0.00 61.69 62.26 1yop s THR 14 Cb -0.04 -4.42 -0.07 0.00 0.01 0.00 0.00 72.50 67.98 1yop s THR 14 CO 0.04 -0.89 0.74 0.72 -0.69 0.00 0.00 174.62 174.54 1yop s PHE 15 N 3.58 3.83 -0.60 4.92 -0.12 -1.26 0.55 117.98 128.88 1yop s PHE 15 Ca 0.30 1.52 -0.12 0.00 -0.05 0.00 0.00 56.93 58.59 1yop s PHE 15 Cb -0.12 -2.74 0.15 0.00 -0.63 0.00 0.00 43.02 39.68 1yop s PHE 15 CO 0.21 0.44 0.51 -1.21 -0.05 0.00 0.00 175.22 175.13 1yop s GLU 16 N -0.77 2.91 -0.92 1.99 2.02 0.21 -4.94 118.70 119.20 1yop s GLU 16 Ca 0.36 -2.02 -0.11 0.00 0.02 0.00 0.00 54.97 53.21 1yop s GLU 16 Cb -0.22 -4.13 -0.08 0.00 0.10 0.00 0.00 34.13 29.80 1yop s GLU 16 CO 0.24 -1.25 2.09 -0.35 0.02 0.00 0.00 175.26 176.00 1yop n PRO 17 N 4.60 2.00 0.05 0.39 -0.04 -1.26 -3.27 135.00 137.46 1yop n PRO 17 Ca -0.02 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1yop n PRO 17 Cb 0.42 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 5.15 0.00 -1.60 0.54 0.28 -1.26 -4.94 120.64 118.81 1yop n GLU 18 Ca 0.48 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.48 1yop n GLU 18 Cb 0.23 -0.12 0.07 0.00 1.43 0.00 0.00 31.44 33.05 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 -2.95 1.70 -3.57 -1.84 3.02 -1.24 -4.73 115.26 105.63 1yop n ASN 19 Ca 0.00 -2.65 -0.19 0.00 -0.03 0.00 0.00 54.58 51.71 1yop n ASN 19 Cb 0.08 -0.40 0.06 0.00 -0.61 0.00 0.00 39.78 38.91 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 -5.74 -4.40 3.52 6.02 -1.25 -5.00 117.38 110.30 1yop n GLN 20 Ca 0.13 0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 57.62 1yop n GLN 20 Cb 0.95 -5.51 -0.11 0.00 1.02 0.00 0.00 30.24 26.60 1yop n GLN 20 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1yop s MET 21 N -5.70 1.46 0.32 -1.09 1.75 -1.20 -3.40 119.30 111.44 1yop s MET 21 Ca 0.01 -1.57 0.09 0.00 -1.25 0.00 0.00 55.69 52.97 1yop s MET 21 Cb -0.00 -1.55 -0.06 0.00 2.84 0.00 0.00 34.83 36.06 1yop s MET 21 CO 0.77 0.30 -0.10 -0.06 -0.65 0.00 0.00 175.02 175.29 1yop s PHE 22 N -2.25 2.29 0.01 4.11 0.40 -0.46 0.65 117.98 122.73 1yop s PHE 22 Ca 0.22 -0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1yop s PHE 22 Cb -0.05 -1.28 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 1yop s PHE 22 CO 0.10 0.53 0.13 0.95 0.70 0.00 0.00 175.22 177.63 1yop s THR 23 N -2.69 0.09 -0.32 0.64 -4.23 0.19 -1.81 115.64 107.51 1yop s THR 23 Ca 0.32 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1yop s THR 23 Cb 0.02 -0.52 0.14 0.00 1.34 0.00 0.00 72.50 73.48 1yop s THR 23 CO 0.15 -0.42 0.28 -0.47 -0.54 0.00 0.00 174.62 173.62 1yop s TYR 24 N -1.63 -0.14 -0.74 3.99 5.04 -1.12 -1.11 117.35 121.63 1yop s TYR 24 Ca -0.13 -0.66 -0.24 0.00 -2.44 0.00 0.00 57.07 53.60 1yop s TYR 24 Cb -0.06 -0.57 -0.15 0.00 0.35 0.00 0.00 41.96 41.52 1yop s TYR 24 CO 0.00 -0.91 2.41 -2.30 -1.34 0.00 0.00 175.55 173.42 1yop n PRO 25 N 4.83 0.58 -1.95 4.97 -0.02 -1.26 -2.12 135.00 140.02 1yop n PRO 25 Ca 0.03 -0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 60.73 1yop n PRO 25 Cb 0.44 -3.01 -0.02 0.00 -0.02 0.00 0.00 33.50 30.89 1yop n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yop h PRO 27 N 3.96 0.00 -0.42 0.00 0.13 -1.90 -1.76 132.00 132.00 1yop h PRO 27 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.32 0.00 -0.23 0.00 0.00 178.00 178.79 1yop n GLY 29 N -1.60 0.64 0.00 0.00 0.00 -0.67 -5.03 105.19 98.54 1yop n GLY 29 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.34 -4.36 1.61 2.03 -1.21 -5.03 116.55 110.94 1yop n ASP 30 Ca 0.00 -0.71 -0.28 0.00 0.52 0.00 0.00 54.79 54.32 1yop n ASP 30 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 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 -1.14 1.33 0.29 -0.67 3.52 -1.26 -1.74 118.95 119.27 1yop s ARG 31 Ca 0.00 -1.30 0.07 0.00 -0.13 0.00 0.00 55.73 54.36 1yop s ARG 31 Cb 0.00 -1.76 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 1yop s ARG 31 CO 0.00 0.41 0.31 0.12 -0.81 0.00 0.00 175.30 175.34 1yop s PHE 32 N -1.10 3.14 -0.20 5.12 5.36 -0.90 -4.82 117.98 124.58 1yop s PHE 32 Ca 0.12 -0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 55.89 1yop s PHE 32 Cb -0.10 -1.65 0.10 0.00 -0.34 0.00 0.00 43.02 41.03 1yop s PHE 32 CO 0.06 0.32 0.34 1.14 -1.46 0.00 0.00 175.22 175.61 1yop s GLN 33 N -3.98 0.27 -0.07 10.12 -2.07 -1.26 -2.80 119.66 119.88 1yop s GLN 33 Ca 0.37 0.71 0.01 0.00 -1.82 0.00 0.00 55.36 54.63 1yop s GLN 33 Cb -0.08 -0.20 0.02 0.00 -1.09 0.00 0.00 33.01 31.66 1yop s GLN 33 CO 0.27 -0.43 -0.09 -1.50 -1.32 0.00 0.00 175.29 172.22 1yop s ILE 34 N 2.51 0.92 -0.15 3.63 2.07 -0.75 -4.97 121.20 124.46 1yop s ILE 34 Ca 0.05 -0.33 -0.29 0.00 -1.41 0.00 0.00 60.65 58.67 1yop s ILE 34 Cb -0.14 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.57 1yop s ILE 34 CO -0.13 0.31 1.01 -0.47 -1.91 0.00 0.00 174.94 173.76 1yop s TYR 35 N 0.91 3.45 0.27 3.50 6.14 -1.26 -1.35 117.35 129.01 1yop s TYR 35 Ca -0.10 1.54 -0.04 0.00 0.64 0.00 0.00 57.07 59.11 1yop s TYR 35 Cb -0.15 -3.21 0.35 0.00 0.42 0.00 0.00 41.96 39.38 1yop s TYR 35 CO 0.01 -0.31 1.90 1.37 0.64 0.00 0.00 175.55 179.16 1yop h LEU 36 N 8.51 0.98 -0.48 6.97 8.10 -1.92 -1.82 115.31 135.64 1yop h LEU 36 Ca -0.27 -0.07 0.05 0.00 0.11 0.00 0.00 57.88 57.70 1yop h LEU 36 Cb 1.12 -0.25 -0.05 0.00 -0.44 0.00 0.00 40.66 41.04 1yop h LEU 36 CO 0.90 0.78 0.21 -0.78 -4.11 0.00 0.00 178.44 175.43 1yop h ASP 37 N 1.11 0.26 -0.28 0.17 3.58 -1.92 -2.40 116.42 116.93 1yop h ASP 37 Ca 0.28 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 1yop h ASP 37 Cb 0.01 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1yop h ASP 37 CO -0.05 0.18 0.01 0.44 -2.88 0.00 0.00 179.24 176.95 1yop h ASP 38 N 0.41 0.47 -0.45 2.28 3.32 -1.88 -2.75 116.42 117.82 1yop h ASP 38 Ca 0.22 -0.30 0.13 0.00 0.02 0.00 0.00 57.03 57.11 1yop h ASP 38 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1yop h ASP 38 CO -0.20 0.65 0.50 0.24 -1.72 0.00 0.00 179.24 178.71 1yop h MET 39 N 0.28 0.00 -0.82 3.56 2.86 -0.87 -0.89 114.93 119.05 1yop h MET 39 Ca 0.08 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.87 1yop h MET 39 Cb 0.40 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 1yop h MET 39 CO 0.01 0.00 0.54 0.35 1.06 0.00 0.00 176.91 178.87 1yop h PHE 40 N 0.00 0.62 -0.29 -0.22 3.04 -1.13 -0.11 116.94 118.85 1yop h PHE 40 Ca 0.21 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.23 1yop h PHE 40 Cb 1.20 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 1yop h PHE 40 CO 0.00 0.23 0.20 1.05 -2.02 0.00 0.00 178.31 177.77 1yop h GLU 41 N 0.52 0.20 0.00 1.11 4.11 -1.34 -3.45 114.58 115.73 1yop h GLU 41 Ca 0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1yop h GLU 41 Cb 0.83 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1yop h GLU 41 CO -0.16 0.13 0.00 0.41 0.07 0.00 0.00 179.01 179.46 1yop n GLY 42 N -1.54 0.74 3.73 1.06 0.00 -0.07 -5.13 105.19 103.99 1yop n GLY 42 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 4.51 0.00 1.61 2.56 -1.11 -4.93 118.70 121.34 1yop s GLU 43 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 54.97 56.08 1yop s GLU 43 Cb 0.00 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.74 1yop s GLU 43 CO 0.00 0.20 0.00 0.36 -0.56 0.00 0.00 175.26 175.26 1yop n LYS 44 N 3.08 0.00 -3.47 4.30 2.85 -1.26 -4.75 118.16 118.91 1yop n LYS 44 Ca -0.01 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.88 1yop n LYS 44 Cb 0.50 -0.57 -0.07 0.00 -0.65 0.00 0.00 35.03 34.24 1yop n LYS 44 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1yop s VAL 45 N -1.85 5.24 0.03 0.58 0.11 -1.26 -2.62 120.40 120.63 1yop s VAL 45 Ca 0.00 0.70 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 1yop s VAL 45 Cb 0.00 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.14 1yop s VAL 45 CO 0.00 0.40 -0.14 0.00 -3.33 0.00 0.00 175.10 172.02 1yop s ALA 46 N 0.31 1.18 -0.20 1.54 0.00 -1.22 -5.03 121.76 118.34 1yop s ALA 46 Ca 0.20 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1yop s ALA 46 Cb -0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1yop s ALA 46 CO 0.07 0.23 -0.03 0.54 0.00 0.00 0.00 175.76 176.57 1yop s VAL 47 N -0.76 3.65 0.27 0.00 0.11 -1.26 -3.29 120.40 119.11 1yop s VAL 47 Ca 0.02 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1yop s VAL 47 Cb -0.07 -2.64 -0.11 0.00 -1.53 0.00 0.00 36.38 32.03 1yop s VAL 47 CO 0.01 0.44 1.55 0.00 -3.33 0.00 0.00 175.10 173.77 1yop n PRO 49 N 2.36 1.68 0.11 0.00 -0.04 -1.26 -1.91 135.00 135.93 1yop n PRO 49 Ca 0.08 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1yop n PRO 49 Cb 0.38 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1yop n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1yop n SER 50 N 0.13 0.26 -0.00 3.54 7.64 -1.26 -4.91 113.62 119.01 1yop n SER 50 Ca 0.11 0.37 0.09 0.00 1.01 0.00 0.00 58.87 60.45 1yop n SER 50 Cb 0.63 0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.86 1yop n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yop n SER 52 N -1.73 -4.54 -4.74 0.00 2.88 -0.80 -4.99 113.62 99.69 1yop n SER 52 Ca 0.01 -0.16 -0.40 0.00 -1.33 0.00 0.00 58.87 56.99 1yop n SER 52 Cb 0.38 -3.46 -0.05 0.00 -0.75 0.00 0.00 64.21 60.32 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 -4.49 4.44 0.04 2.46 0.20 -1.26 -4.69 118.68 115.37 1yop s LEU 53 Ca 0.17 1.41 -0.27 0.00 0.69 0.00 0.00 54.13 56.12 1yop s LEU 53 Cb -0.07 -3.19 -0.05 0.00 -0.43 0.00 0.00 46.19 42.44 1yop s LEU 53 CO 0.21 0.01 0.85 -0.04 -0.29 0.00 0.00 176.35 177.09 1yop s MET 54 N -0.01 4.55 0.03 1.98 -1.94 -1.26 -3.15 119.30 119.51 1yop s MET 54 Ca 0.38 1.21 0.01 0.00 -1.71 0.00 0.00 55.69 55.58 1yop s MET 54 Cb -0.20 -3.40 -0.02 0.00 2.01 0.00 0.00 34.83 33.22 1yop s MET 54 CO 0.22 0.17 -0.05 0.96 -0.01 0.00 0.00 175.02 176.31 1yop s ILE 55 N 0.29 0.26 -0.90 2.53 -4.36 -1.21 -2.13 121.20 115.69 1yop s ILE 55 Ca 0.43 -1.06 -0.15 0.00 -0.26 0.00 0.00 60.65 59.62 1yop s ILE 55 Cb -0.21 -0.50 0.20 0.00 1.25 0.00 0.00 42.46 43.20 1yop s ILE 55 CO 0.25 -0.51 0.92 -1.81 0.24 0.00 0.00 174.94 174.03 1yop s ASP 56 N -1.66 6.81 -0.36 4.36 1.01 0.79 -3.38 116.67 124.25 1yop s ASP 56 Ca -0.12 -2.66 -0.18 0.00 0.71 0.00 0.00 52.55 50.31 1yop s ASP 56 Cb -0.08 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1yop s ASP 56 CO -0.01 -0.66 0.48 0.54 0.21 0.00 0.00 175.17 175.72 1yop s VAL 57 N 0.66 5.04 -0.04 -1.27 0.11 -1.08 -0.06 120.40 123.77 1yop s VAL 57 Ca 0.24 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.35 1yop s VAL 57 Cb -0.08 -3.95 -0.05 0.00 -1.53 0.00 0.00 36.38 30.77 1yop s VAL 57 CO -0.09 -0.22 0.47 0.54 -3.33 0.00 0.00 175.10 172.48 1yop s VAL 58 N 2.32 5.05 0.36 2.04 0.11 0.16 -4.60 120.40 125.84 1yop s VAL 58 Ca 0.17 0.97 0.08 0.00 -2.93 0.00 0.00 61.98 60.27 1yop s VAL 58 Cb -0.16 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 1yop s VAL 58 CO 0.13 0.45 0.15 0.72 -3.33 0.00 0.00 175.10 173.22 1yop s PHE 59 N -0.27 2.66 -0.02 1.54 -0.71 -1.26 -0.25 117.98 119.66 1yop s PHE 59 Ca 0.26 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.73 1yop s PHE 59 Cb -0.16 -1.73 -0.00 0.00 -1.21 0.00 0.00 43.02 39.91 1yop s PHE 59 CO 0.13 0.29 -0.11 -0.51 -1.34 0.00 0.00 175.22 173.68 1yop s ASP 60 N -3.86 1.36 0.19 1.98 1.11 -1.26 -4.94 116.67 111.25 1yop s ASP 60 Ca 0.39 -0.21 -0.06 0.00 0.18 0.00 0.00 52.55 52.84 1yop s ASP 60 Cb -0.01 -0.27 0.11 0.00 1.07 0.00 0.00 42.92 43.83 1yop s ASP 60 CO 0.22 0.11 1.58 0.11 1.18 0.00 0.00 175.17 178.38 1yop h LYS 61 N 6.13 0.82 0.23 8.23 1.57 -2.01 -1.53 116.57 130.01 1yop h LYS 61 Ca -0.33 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.08 1yop h LYS 61 Cb 1.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1yop h LYS 61 CO 0.49 1.00 -0.16 0.93 -0.57 0.00 0.00 179.45 181.14 1yop h GLU 62 N 0.70 -0.37 -0.61 3.15 5.08 -1.98 0.13 114.58 120.68 1yop h GLU 62 Ca 0.09 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1yop h GLU 62 Cb 0.81 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1yop h GLU 62 CO 0.07 -0.25 0.31 -0.44 -1.00 0.00 0.00 179.01 177.70 1yop h ASP 63 N -0.39 0.79 0.35 1.42 3.32 -1.97 0.10 116.42 120.04 1yop h ASP 63 Ca -0.02 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1yop h ASP 63 Cb 0.33 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1yop h ASP 63 CO 0.01 0.68 -0.17 0.25 -1.72 0.00 0.00 179.24 178.29 1yop h LEU 64 N 0.83 -0.40 -0.84 1.55 6.46 -1.04 0.51 115.31 122.38 1yop h LEU 64 Ca 0.21 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1yop h LEU 64 Cb 0.09 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1yop h LEU 64 CO -0.03 -0.28 0.24 0.00 -0.62 0.00 0.00 178.44 177.75 1yop h ALA 65 N 0.18 1.06 -0.42 1.25 0.00 -0.66 -1.45 119.26 119.22 1yop h ALA 65 Ca -0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1yop h ALA 65 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yop h ALA 65 CO 0.08 0.64 -0.19 1.49 0.00 0.00 0.00 179.25 181.26 1yop h GLU 66 N 1.06 0.88 -0.29 0.00 4.81 -0.63 -3.09 114.58 117.31 1yop h GLU 66 Ca 0.23 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1yop h GLU 66 Cb 0.28 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1yop h GLU 66 CO -0.01 1.02 -0.16 -0.92 -0.73 0.00 0.00 179.01 178.21 1yop h TYR 67 N 0.70 0.57 -0.87 0.92 3.20 0.24 -0.45 116.97 121.29 1yop h TYR 67 Ca 0.10 -0.10 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1yop h TYR 67 Cb 0.76 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.80 1yop h TYR 67 CO 0.06 0.66 0.49 -0.92 -1.64 0.00 0.00 178.16 176.81 1yop h TYR 68 N 0.47 0.89 0.16 -3.82 5.03 -1.18 0.50 116.97 119.01 1yop h TYR 68 Ca 0.08 0.03 -0.32 0.00 2.58 0.00 0.00 58.73 61.10 1yop h TYR 68 Cb 0.56 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.58 1yop h TYR 68 CO 0.02 0.32 -1.56 1.49 -1.32 0.00 0.00 178.16 177.11 1yop h GLU 69 N 0.78 0.34 -0.17 1.82 4.81 -1.55 -3.35 114.58 117.26 1yop h GLU 69 Ca 0.44 -0.57 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 1yop h GLU 69 Cb 0.47 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1yop h GLU 69 CO -0.28 1.23 -0.25 1.49 -0.73 0.00 0.00 179.01 180.47 1yop h GLU 70 N 0.09 0.32 0.68 1.92 4.57 -0.50 -3.29 114.58 118.37 1yop h GLU 70 Ca -0.26 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 1yop h GLU 70 Cb 2.06 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.63 1yop h GLU 70 CO 0.19 0.55 -0.33 0.00 -1.18 0.00 0.00 179.01 178.24 1yop h ALA 71 N 1.46 -1.22 -0.27 2.92 0.00 -0.15 -3.48 119.26 118.51 1yop h ALA 71 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yop h ALA 71 Cb 0.59 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1yop h ALA 71 CO 0.04 -1.16 0.00 0.41 0.00 0.00 0.00 179.25 178.54 1yop n GLY 72 N -1.39 1.09 3.74 0.00 0.00 -1.24 -4.86 105.19 102.52 1yop n GLY 72 Ca -0.11 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.27 2.53 -0.28 -0.61 2.07 -1.26 -4.41 121.20 116.97 1yop s ILE 73 Ca 0.00 0.27 -0.07 0.00 -1.41 0.00 0.00 60.65 59.44 1yop s ILE 73 Cb 0.00 -2.88 0.01 0.00 0.13 0.00 0.00 42.46 39.72 1yop s ILE 73 CO 0.00 -0.13 0.26 1.57 -1.91 0.00 0.00 174.94 174.74 1yop n HIS 74 N -2.42 -2.78 -0.72 3.50 -0.00 -1.26 -4.98 115.22 106.56 1yop n HIS 74 Ca 0.13 1.17 -0.32 0.00 0.46 0.00 0.00 57.72 59.16 1yop n HIS 74 Cb 0.50 -3.42 0.15 0.00 -0.12 0.00 0.00 29.99 27.10 1yop n HIS 74 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1yop n PRO 75 N 0.01 -0.89 -0.27 1.57 -0.02 -1.26 -4.99 135.00 129.16 1yop n PRO 75 Ca 0.05 -0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1yop n PRO 75 Cb 0.20 -1.87 0.30 0.00 -0.02 0.00 0.00 33.50 32.10 1yop n PRO 75 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yop s PRO 76 N -3.72 -3.35 0.46 0.52 0.02 -1.26 -5.02 135.00 122.65 1yop s PRO 76 Ca 0.58 0.10 0.00 0.00 0.02 0.00 0.00 61.00 61.70 1yop s PRO 76 Cb -0.19 -1.33 0.00 0.00 0.02 0.00 0.00 34.50 33.00 1yop s PRO 76 CO 0.66 -5.14 0.00 0.39 -0.33 0.00 0.00 177.00 172.58 1yop n GLU 77 N -5.82 0.00 -2.10 5.54 1.02 -1.26 -5.04 120.64 112.97 1yop n GLU 77 Ca 0.14 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.99 1yop n GLU 77 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.97 1yop n GLU 77 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1yop s PRO 78 N -1.97 2.61 0.59 3.49 0.04 -1.26 -4.96 135.00 133.55 1yop s PRO 78 Ca 0.00 -1.03 -0.19 0.00 0.04 0.00 0.00 61.00 59.82 1yop s PRO 78 Cb 0.00 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.28 1yop s PRO 78 CO 0.00 -3.73 1.19 -1.50 0.04 0.00 0.00 177.00 173.00 1yop s ILE 79 N 10.33 2.76 0.01 0.56 2.07 -1.26 -4.99 121.20 130.68 1yop s ILE 79 Ca 0.67 0.47 -0.15 0.00 -1.41 0.00 0.00 60.65 60.23 1yop s ILE 79 Cb -0.02 -3.17 -0.08 0.00 0.13 0.00 0.00 42.46 39.32 1yop s ILE 79 CO 0.10 -0.11 0.96 0.00 -1.91 0.00 0.00 174.94 173.97 1yop h ALA 80 N 0.89 -0.88 -4.73 1.50 0.00 -2.07 -3.49 119.26 110.48 1yop h ALA 80 Ca -0.50 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.29 1yop h ALA 80 Cb 1.29 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 1yop h ALA 80 CO 0.55 -0.84 -1.32 0.00 0.00 0.00 0.00 179.25 177.64 1yop n ALA 81 N -2.39 -3.22 -0.60 0.00 0.00 -1.26 -5.07 120.51 107.96 1yop n ALA 81 Ca -0.07 1.76 0.00 0.00 0.00 0.00 0.00 53.44 55.13 1yop n ALA 81 Cb 0.22 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.09 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 1.61 2.40 -1.58 0.00 0.00 -1.26 -5.32 120.51 116.35 1yop n ALA 82 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1yop n ALA 82 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1yop n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50