#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuo n SER 2 N 0.00 -0.98 -0.04 1.61 3.41 -1.26 -4.79 113.62 111.57 2yuo n SER 2 Ca 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.51 2yuo n SER 2 Cb 0.00 -1.27 -0.09 0.00 -0.26 0.00 0.00 64.21 62.59 2yuo n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2yuo h SER 3 N -0.80 -0.04 0.00 4.04 4.64 -2.11 -3.49 113.55 115.79 2yuo h SER 3 Ca -0.49 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.20 2yuo h SER 3 Cb 1.10 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2yuo h SER 3 CO 0.68 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 2yuo n GLY 4 N 1.35 2.15 2.49 -0.77 0.00 -1.26 -5.03 105.19 104.11 2yuo n GLY 4 Ca -0.07 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2yuo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuo n SER 5 N 0.00 7.25 -4.30 1.61 7.64 -1.26 -4.92 113.62 119.64 2yuo n SER 5 Ca 0.00 -3.80 -0.42 0.00 1.01 0.00 0.00 58.87 55.66 2yuo n SER 5 Cb 0.00 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.20 2yuo n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuo s SER 6 N -1.86 5.88 -0.29 6.43 1.04 -1.26 -5.01 113.70 118.62 2yuo s SER 6 Ca 0.59 -1.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.25 2yuo s SER 6 Cb 0.47 -2.08 0.18 0.00 0.10 0.00 0.00 66.02 64.69 2yuo s SER 6 CO -0.14 -0.64 1.27 -0.83 0.98 0.00 0.00 173.24 173.88 2yuo s GLY 7 N 2.56 0.33 -0.08 7.32 0.00 -1.26 -5.16 107.32 111.03 2yuo s GLY 7 Ca 0.04 3.46 -0.02 0.00 0.00 0.00 0.00 44.72 48.19 2yuo s GLY 7 CO 0.03 2.26 0.02 -1.60 0.00 0.00 0.00 173.10 173.82 2yuo s ARG 8 N 0.53 3.02 -0.03 2.90 3.52 -1.26 -4.96 118.95 122.67 2yuo s ARG 8 Ca -0.00 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2yuo s ARG 8 Cb -0.04 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2yuo s ARG 8 CO -0.12 0.70 -0.08 1.03 -0.81 0.00 0.00 175.30 176.02 2yuo s ARG 9 N -1.00 0.99 -0.11 5.12 0.52 -1.26 -0.25 118.95 122.95 2yuo s ARG 9 Ca 0.15 -0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 2yuo s ARG 9 Cb -0.11 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.44 2yuo s ARG 9 CO 0.04 0.06 -0.23 0.00 0.02 0.00 0.00 175.30 175.18 2yuo s ALA 10 N 0.40 2.20 0.04 2.13 0.00 -1.06 -1.52 121.76 123.95 2yuo s ALA 10 Ca -0.06 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 2yuo s ALA 10 Cb -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 2yuo s ALA 10 CO 0.01 0.20 0.77 0.21 0.00 0.00 0.00 175.76 176.96 2yuo s LYS 11 N 0.47 4.50 0.01 0.00 2.36 -0.12 -2.55 119.74 124.41 2yuo s LYS 11 Ca -0.16 1.08 -0.30 0.00 -2.55 0.00 0.00 55.97 54.04 2yuo s LYS 11 Cb -0.17 -3.37 -0.05 0.00 -1.05 0.00 0.00 37.83 33.18 2yuo s LYS 11 CO 0.06 0.26 1.34 0.00 1.55 0.00 0.00 175.35 178.56 2yuo s ALA 12 N 0.02 3.54 -0.00 3.13 0.00 0.11 -0.84 121.76 127.72 2yuo s ALA 12 Ca 0.39 0.86 0.11 0.00 0.00 0.00 0.00 51.96 53.32 2yuo s ALA 12 Cb -0.20 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 2yuo s ALA 12 CO 0.23 -0.79 1.19 -0.07 0.00 0.00 0.00 175.76 176.32 2yuo h LEU 13 N 7.96 0.00 0.00 0.00 3.38 -1.75 0.30 115.31 125.20 2yuo h LEU 13 Ca -0.38 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.37 2yuo h LEU 13 Cb 1.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 2yuo h LEU 13 CO 0.88 0.82 -0.09 0.00 0.09 0.00 0.00 178.44 180.15 2yuo n LEU 14 N -3.23 0.00 -4.64 1.67 -0.00 -1.26 -4.59 117.00 104.95 2yuo n LEU 14 Ca -0.03 -2.42 -0.42 0.00 -0.00 0.00 0.00 56.01 53.14 2yuo n LEU 14 Cb 0.89 2.29 -0.04 0.00 -0.00 0.00 0.00 43.42 46.57 2yuo n LEU 14 CO 0.45 -0.58 0.69 1.51 -0.00 0.00 0.00 177.39 179.46 2yuo s ASP 15 N -2.85 6.85 -0.34 1.45 -4.77 -1.26 -3.64 116.67 112.11 2yuo s ASP 15 Ca 0.24 1.02 0.01 0.00 -3.30 0.00 0.00 52.55 50.52 2yuo s ASP 15 Cb -0.01 -2.45 0.09 0.00 -1.09 0.00 0.00 42.92 39.45 2yuo s ASP 15 CO 0.17 -0.57 0.06 0.12 0.70 0.00 0.00 175.17 175.65 2yuo s PHE 16 N 2.95 3.53 -0.40 2.11 5.36 0.76 -4.97 117.98 127.32 2yuo s PHE 16 Ca 0.36 -2.49 -0.24 0.00 -0.96 0.00 0.00 56.93 53.61 2yuo s PHE 16 Cb -0.15 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.86 2yuo s PHE 16 CO 0.08 -0.91 0.81 -2.00 -1.46 0.00 0.00 175.22 171.74 2yuo s GLU 17 N 1.08 3.63 0.69 10.12 2.12 -1.26 -0.84 118.70 134.23 2yuo s GLU 17 Ca 0.04 0.19 -0.13 0.00 0.36 0.00 0.00 54.97 55.43 2yuo s GLU 17 Cb -0.20 -3.86 0.01 0.00 0.26 0.00 0.00 34.13 30.34 2yuo s GLU 17 CO -0.05 -0.98 1.09 -0.98 -0.54 0.00 0.00 175.26 173.80 2yuo s ARG 18 N 3.27 2.75 -0.09 4.30 3.03 -1.26 -4.95 118.95 126.00 2yuo s ARG 18 Ca 0.32 1.23 -0.06 0.00 2.03 0.00 0.00 55.73 59.25 2yuo s ARG 18 Cb -0.12 -1.95 -0.04 0.00 -1.03 0.00 0.00 34.95 31.80 2yuo s ARG 18 CO 0.20 -1.27 -0.14 1.58 -1.13 0.00 0.00 175.30 174.54 2yuo n HIS 19 N -2.78 0.00 -3.84 5.89 -0.00 -1.26 -4.94 115.22 108.28 2yuo n HIS 19 Ca 0.09 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.93 2yuo n HIS 19 Cb 0.53 -0.35 -0.05 0.00 -0.12 0.00 0.00 29.99 29.99 2yuo n HIS 19 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2yuo s ASP 20 N -5.98 6.42 0.39 0.26 1.01 -1.26 -4.98 116.67 112.53 2yuo s ASP 20 Ca -0.15 0.45 0.22 0.00 0.71 0.00 0.00 52.55 53.78 2yuo s ASP 20 Cb 0.05 -2.04 1.28 0.00 1.01 0.00 0.00 42.92 43.21 2yuo s ASP 20 CO 0.19 0.27 1.63 -2.24 0.21 0.00 0.00 175.17 175.23 2yuo h ASP 21 N 4.01 0.37 -0.80 0.27 2.03 -2.02 0.87 116.42 121.15 2yuo h ASP 21 Ca -0.50 0.18 0.03 0.00 -0.73 0.00 0.00 57.03 56.01 2yuo h ASP 21 Cb 1.20 0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 39.81 2yuo h ASP 21 CO 0.67 -0.22 0.52 -2.24 -1.03 0.00 0.00 179.24 176.93 2yuo h ASP 22 N 0.16 0.86 -3.74 4.15 3.04 -1.93 -3.42 116.42 115.54 2yuo h ASP 22 Ca 0.79 -0.01 -0.51 0.00 -3.24 0.00 0.00 57.03 54.06 2yuo h ASP 22 Cb 2.14 -0.20 0.03 0.00 -1.04 0.00 0.00 39.33 40.26 2yuo h ASP 22 CO -0.57 0.60 0.56 -1.61 -2.04 0.00 0.00 179.24 176.18 2yuo s GLU 23 N -6.11 4.51 -0.28 4.15 2.02 0.30 0.16 118.70 123.45 2yuo s GLU 23 Ca -0.13 1.97 -0.06 0.00 0.02 0.00 0.00 54.97 56.77 2yuo s GLU 23 Cb 0.16 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.23 2yuo s GLU 23 CO 0.79 -0.00 0.06 -1.17 0.02 0.00 0.00 175.26 174.95 2yuo s LEU 24 N -1.25 3.63 0.43 1.80 2.96 0.73 -4.72 118.68 122.26 2yuo s LEU 24 Ca 0.48 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2yuo s LEU 24 Cb -0.35 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 2yuo s LEU 24 CO 0.44 -0.14 0.68 -0.83 -1.32 0.00 0.00 176.35 175.17 2yuo s GLY 25 N 1.51 1.46 0.10 7.98 0.00 -1.26 -4.74 107.32 112.38 2yuo s GLY 25 Ca 0.03 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 2yuo s GLY 25 CO 0.02 -0.68 0.63 -0.11 0.00 0.00 0.00 173.10 172.96 2yuo s PHE 26 N -2.55 -0.56 0.63 1.90 -0.12 -0.02 -4.91 117.98 112.34 2yuo s PHE 26 Ca 0.45 0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 57.84 2yuo s PHE 26 Cb -0.10 0.52 0.06 0.00 -0.63 0.00 0.00 43.02 42.88 2yuo s PHE 26 CO 0.40 -0.78 0.88 1.03 -0.05 0.00 0.00 175.22 176.70 2yuo s ARG 27 N -3.11 2.23 0.32 1.99 3.00 -1.26 -0.17 118.95 121.95 2yuo s ARG 27 Ca -0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 55.73 54.67 2yuo s ARG 27 Cb -0.01 -2.38 -0.10 0.00 0.00 0.00 0.00 34.95 32.46 2yuo s ARG 27 CO -0.07 -1.03 1.32 0.21 0.00 0.00 0.00 175.30 175.73 2yuo s LYS 28 N -4.97 4.34 -1.59 3.54 2.20 -1.24 -2.61 119.74 119.41 2yuo s LYS 28 Ca 0.60 2.23 -0.02 0.00 -0.36 0.00 0.00 55.97 58.42 2yuo s LYS 28 Cb -0.09 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2yuo s LYS 28 CO 0.41 -0.22 0.22 0.09 -0.36 0.00 0.00 175.35 175.49 2yuo n ASN 29 N 0.96 -5.71 -4.71 1.43 3.02 0.10 -4.97 115.26 105.39 2yuo n ASN 29 Ca 0.01 -0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.09 2yuo n ASN 29 Cb 0.42 -4.66 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 2yuo n ASN 29 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2yuo s ASP 30 N -2.35 5.84 -0.08 6.41 1.11 -1.07 -4.79 116.67 121.75 2yuo s ASP 30 Ca 0.11 0.20 -0.20 0.00 0.18 0.00 0.00 52.55 52.84 2yuo s ASP 30 Cb -0.05 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 41.96 2yuo s ASP 30 CO 0.13 0.26 0.55 -0.63 1.18 0.00 0.00 175.17 176.65 2yuo s ILE 31 N -0.11 5.10 -0.07 0.77 -1.09 -1.26 0.05 121.20 124.58 2yuo s ILE 31 Ca 0.08 1.11 0.02 0.00 -2.23 0.00 0.00 60.65 59.64 2yuo s ILE 31 Cb -0.12 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 2yuo s ILE 31 CO 0.01 0.34 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.29 2yuo s ILE 32 N 0.42 1.23 0.16 2.92 1.01 -1.06 -4.98 121.20 120.91 2yuo s ILE 32 Ca 0.29 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 2yuo s ILE 32 Cb -0.16 -1.11 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 2yuo s ILE 32 CO 0.13 0.38 1.16 -0.89 0.00 0.00 0.00 174.94 175.72 2yuo s THR 33 N 0.64 3.75 -0.36 2.92 2.01 -1.14 -2.57 115.64 120.89 2yuo s THR 33 Ca -0.15 1.44 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 2yuo s THR 33 Cb -0.16 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 2yuo s THR 33 CO 0.04 0.22 0.50 -0.63 -0.69 0.00 0.00 174.62 174.06 2yuo s ILE 34 N 0.06 5.03 -0.12 1.82 1.01 0.66 0.12 121.20 129.78 2yuo s ILE 34 Ca 0.53 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 2yuo s ILE 34 Cb -0.31 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2yuo s ILE 34 CO 0.35 -0.24 -0.10 0.40 0.00 0.00 0.00 174.94 175.36 2yuo h ILE 35 N 5.63 0.00 -3.89 2.92 1.08 -1.04 -3.38 117.51 118.83 2yuo h ILE 35 Ca -0.28 -0.93 -0.22 0.00 -0.39 0.00 0.00 64.86 63.05 2yuo h ILE 35 Cb 1.12 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.64 2yuo h ILE 35 CO 0.77 0.00 -0.72 -0.55 -0.69 0.00 0.00 178.15 176.97 2yuo s SER 36 N -5.49 0.27 -1.13 1.72 0.15 -0.87 -5.04 113.70 103.31 2yuo s SER 36 Ca -0.08 -0.31 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 2yuo s SER 36 Cb 0.01 0.05 0.27 0.00 -1.71 0.00 0.00 66.02 64.64 2yuo s SER 36 CO 0.12 -0.16 1.20 0.00 1.20 0.00 0.00 173.24 175.60 2yuo n GLN 37 N 2.17 3.63 -0.07 5.44 6.02 -1.26 -0.34 117.38 132.96 2yuo n GLN 37 Ca -0.19 -4.39 -0.05 0.00 -0.01 0.00 0.00 57.00 52.36 2yuo n GLN 37 Cb 0.57 -2.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.19 2yuo n GLN 37 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2yuo h LYS 38 N 6.56 -0.11 -5.51 -1.09 3.64 -1.90 -3.44 116.57 114.72 2yuo h LYS 38 Ca 0.20 0.01 -0.64 0.00 -1.27 0.00 0.00 60.65 58.95 2yuo h LYS 38 Cb 0.84 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.59 2yuo h LYS 38 CO 1.08 -0.07 -0.45 0.34 -2.27 0.00 0.00 179.45 178.08 2yuo s ASP 39 N -3.62 4.30 0.11 4.20 2.15 0.64 -5.03 116.67 119.41 2yuo s ASP 39 Ca -0.05 -1.46 -0.14 0.00 0.43 0.00 0.00 52.55 51.33 2yuo s ASP 39 Cb 0.03 0.35 -0.06 0.00 -0.30 0.00 0.00 42.92 42.94 2yuo s ASP 39 CO 0.22 -0.88 1.46 -0.33 -0.17 0.00 0.00 175.17 175.47 2yuo h GLU 40 N 1.20 0.73 0.07 4.34 5.08 -2.03 -3.32 114.58 120.65 2yuo h GLU 40 Ca -0.42 -0.35 -0.36 0.00 -1.00 0.00 0.00 59.36 57.24 2yuo h GLU 40 Cb 1.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2yuo h GLU 40 CO 0.69 0.96 -2.06 0.72 -1.00 0.00 0.00 179.01 178.32 2yuo n HIS 41 N -4.28 0.90 -3.34 4.33 8.25 -1.26 -4.85 115.22 114.97 2yuo n HIS 41 Ca -0.03 0.22 -0.39 0.00 -0.26 0.00 0.00 57.72 57.26 2yuo n HIS 41 Cb 0.44 -1.13 -0.08 0.00 1.12 0.00 0.00 29.99 30.34 2yuo n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yuo s TRP 43 N 2.00 2.38 -0.26 0.00 0.51 -0.64 -0.26 118.94 122.67 2yuo s TRP 43 Ca 0.18 -0.34 -0.02 0.00 -2.12 0.00 0.00 56.10 53.80 2yuo s TRP 43 Cb -0.16 -1.09 0.03 0.00 -0.81 0.00 0.00 33.47 31.45 2yuo s TRP 43 CO 0.09 0.68 -0.04 0.08 -0.51 0.00 0.00 176.95 177.25 2yuo s VAL 44 N -2.49 2.94 0.00 4.03 1.01 0.54 -1.27 120.40 125.16 2yuo s VAL 44 Ca 0.31 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2yuo s VAL 44 Cb -0.04 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2yuo s VAL 44 CO 0.16 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2yuo n GLY 45 N 4.66 4.95 2.89 4.51 0.00 -1.12 -0.47 105.19 120.62 2yuo n GLY 45 Ca -0.15 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 2yuo n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuo s GLU 46 N 0.02 0.07 -0.03 1.61 2.12 0.33 -3.59 118.70 119.23 2yuo s GLU 46 Ca 0.00 0.52 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 2yuo s GLU 46 Cb 0.00 -0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.22 2yuo s GLU 46 CO 0.00 -0.26 0.46 -1.17 -0.54 0.00 0.00 175.26 173.76 2yuo s LEU 47 N 1.92 0.22 -1.23 2.70 2.96 -0.83 -2.87 118.68 121.56 2yuo s LEU 47 Ca -0.01 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2yuo s LEU 47 Cb -0.12 1.80 0.00 0.00 0.50 0.00 0.00 46.19 48.37 2yuo s LEU 47 CO -0.06 -0.52 0.00 0.59 -1.32 0.00 0.00 176.35 175.04 2yuo n ASN 48 N 1.12 -4.16 -1.06 3.68 3.02 -1.26 -0.13 115.26 116.47 2yuo n ASN 48 Ca -0.21 0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 2yuo n ASN 48 Cb 0.56 -3.57 -0.01 0.00 -0.61 0.00 0.00 39.78 36.16 2yuo n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuo n GLY 49 N -0.75 0.11 3.35 7.41 0.00 -1.26 -5.03 105.19 109.04 2yuo n GLY 49 Ca -0.16 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2yuo n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yuo s LEU 50 N -2.72 2.50 -0.15 0.99 1.43 0.82 -5.14 118.68 116.40 2yuo s LEU 50 Ca 0.00 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 51.97 2yuo s LEU 50 Cb 0.00 -0.59 0.06 0.00 0.03 0.00 0.00 46.19 45.69 2yuo s LEU 50 CO 0.00 -0.27 0.09 -0.13 0.23 0.00 0.00 176.35 176.27 2yuo s ARG 51 N -3.70 0.04 0.00 1.70 0.52 -1.26 -1.96 118.95 114.29 2yuo s ARG 51 Ca 0.24 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2yuo s ARG 51 Cb 0.01 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.83 2yuo s ARG 51 CO 0.08 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.18 2yuo n GLY 52 N 5.28 3.31 3.86 -3.53 0.00 -1.24 -4.93 105.19 107.95 2yuo n GLY 52 Ca -0.06 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 2yuo n GLY 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2yuo s TRP 53 N -4.55 3.22 -0.09 1.61 1.48 0.12 -2.78 118.94 117.95 2yuo s TRP 53 Ca 0.00 -0.07 -0.30 0.00 -1.06 0.00 0.00 56.10 54.67 2yuo s TRP 53 Cb 0.00 -1.47 0.11 0.00 -1.16 0.00 0.00 33.47 30.95 2yuo s TRP 53 CO 0.00 0.50 0.88 -0.59 -4.06 0.00 0.00 176.95 173.68 2yuo s PHE 54 N -2.04 -0.44 -0.20 1.66 -0.12 -0.40 -0.19 117.98 116.25 2yuo s PHE 54 Ca 0.33 0.65 -0.29 0.00 -0.05 0.00 0.00 56.93 57.57 2yuo s PHE 54 Cb -0.09 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2yuo s PHE 54 CO 0.26 -0.47 1.60 -1.25 -0.05 0.00 0.00 175.22 175.31 2yuo s PRO 55 N -1.65 3.86 0.36 1.99 0.04 -1.26 -1.62 135.00 136.72 2yuo s PRO 55 Ca -0.02 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.76 2yuo s PRO 55 Cb -0.00 -4.02 0.66 0.00 0.04 0.00 0.00 34.50 31.18 2yuo s PRO 55 CO 0.01 -1.22 2.01 0.00 0.04 0.00 0.00 177.00 177.84 2yuo h ALA 56 N 10.47 1.55 -0.42 8.56 0.00 -0.94 -1.52 119.26 136.96 2yuo h ALA 56 Ca -0.34 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.64 2yuo h ALA 56 Cb 1.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2yuo h ALA 56 CO 1.00 0.40 0.48 1.57 0.00 0.00 0.00 179.25 182.70 2yuo h LYS 57 N 0.80 0.00 0.00 0.00 2.10 -1.91 0.59 116.57 118.16 2yuo h LYS 57 Ca 0.21 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.72 2yuo h LYS 57 Cb -0.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 2yuo h LYS 57 CO -0.04 0.00 -0.67 0.74 -2.00 0.00 0.00 179.45 177.48 2yuo h PHE 58 N 0.00 0.00 -1.62 0.07 -1.00 -1.66 -3.46 116.94 109.27 2yuo h PHE 58 Ca 0.20 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.42 2yuo h PHE 58 Cb 1.16 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.63 2yuo h PHE 58 CO 0.00 0.67 -0.50 0.14 -1.61 0.00 0.00 178.31 177.01 2yuo s VAL 59 N -3.12 2.36 -0.09 -0.55 -7.23 0.21 -2.20 120.40 109.78 2yuo s VAL 59 Ca 0.01 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2yuo s VAL 59 Cb 0.10 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2yuo s VAL 59 CO 0.76 -0.02 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.63 2yuo s GLU 60 N -3.90 2.65 0.55 4.82 2.12 -0.02 -4.88 118.70 120.05 2yuo s GLU 60 Ca 0.41 -0.74 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 2yuo s GLU 60 Cb 0.03 -2.04 -0.05 0.00 0.26 0.00 0.00 34.13 32.34 2yuo s GLU 60 CO 0.23 0.13 1.22 0.08 -0.54 0.00 0.00 175.26 176.37 2yuo s VAL 61 N 0.46 2.65 0.30 3.70 1.01 -1.26 -0.95 120.40 126.31 2yuo s VAL 61 Ca -0.17 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2yuo s VAL 61 Cb -0.17 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2yuo s VAL 61 CO 0.07 -0.06 0.08 -0.76 0.00 0.00 0.00 175.10 174.44 2yuo s LEU 62 N -3.75 1.90 -0.10 3.92 1.43 -0.58 -4.87 118.68 116.64 2yuo s LEU 62 Ca 0.73 -1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2yuo s LEU 62 Cb -0.31 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 45.80 2yuo s LEU 62 CO 0.36 -0.69 0.23 -0.62 0.23 0.00 0.00 176.35 175.85 2yuo s ASP 63 N -3.41 0.09 0.22 2.29 2.15 -1.26 -4.52 116.67 112.22 2yuo s ASP 63 Ca 0.36 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.84 2yuo s ASP 63 Cb 0.08 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 43.11 2yuo s ASP 63 CO 0.15 -0.20 0.15 -1.61 -0.17 0.00 0.00 175.17 173.49 2yuo s GLU 64 N 1.75 1.30 -1.39 4.34 0.41 -1.26 -4.90 118.70 118.95 2yuo s GLU 64 Ca -0.04 -1.70 -0.02 0.00 -0.41 0.00 0.00 54.97 52.81 2yuo s GLU 64 Cb -0.11 0.23 0.01 0.00 -1.78 0.00 0.00 34.13 32.48 2yuo s GLU 64 CO -0.08 -0.42 0.57 0.54 -0.49 0.00 0.00 175.26 175.38 2yuo n ARG 65 N -0.34 -4.03 -4.32 1.61 5.12 -1.26 -4.98 116.66 108.47 2yuo n ARG 65 Ca 0.03 0.50 -0.25 0.00 -1.93 0.00 0.00 57.85 56.19 2yuo n ARG 65 Cb 0.66 -4.85 -0.12 0.00 -1.16 0.00 0.00 32.46 26.98 2yuo n ARG 65 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2yuo s SER 66 N -4.27 2.75 -0.36 0.55 0.15 -1.26 -5.06 113.70 106.21 2yuo s SER 66 Ca 0.07 -0.73 -0.33 0.00 0.70 0.00 0.00 55.95 55.66 2yuo s SER 66 Cb -0.04 -0.16 -0.14 0.00 -1.71 0.00 0.00 66.02 63.97 2yuo s SER 66 CO 0.86 0.07 1.30 1.17 1.20 0.00 0.00 173.24 177.84 2yuo n LYS 67 N 0.91 0.00 -4.20 5.44 3.00 -1.26 -4.91 118.16 117.13 2yuo n LYS 67 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.96 2yuo n LYS 67 Cb 0.54 -1.07 -0.13 0.00 0.00 0.00 0.00 35.03 34.37 2yuo n LYS 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2yuo s GLU 68 N 3.00 0.71 0.22 1.64 -1.05 -1.26 -5.16 118.70 116.81 2yuo s GLU 68 Ca 0.80 -0.71 0.09 0.00 -0.15 0.00 0.00 54.97 55.00 2yuo s GLU 68 Cb -1.07 -0.64 -0.04 0.00 -0.44 0.00 0.00 34.13 31.93 2yuo s GLU 68 CO 0.54 0.15 -0.02 0.71 0.95 0.00 0.00 175.26 177.59 2yuo s TYR 69 N -0.98 2.72 -0.72 4.83 1.51 -1.26 -5.08 117.35 118.36 2yuo s TYR 69 Ca -0.03 -0.20 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 2yuo s TYR 69 Cb -0.08 -1.26 0.13 0.00 -0.11 0.00 0.00 41.96 40.64 2yuo s TYR 69 CO 0.01 0.57 0.82 -1.12 -1.11 0.00 0.00 175.55 174.72 2yuo s SER 70 N -3.31 6.41 0.01 2.29 0.01 -1.26 -5.01 113.70 112.84 2yuo s SER 70 Ca 0.29 -1.84 0.03 0.00 1.31 0.00 0.00 55.95 55.74 2yuo s SER 70 Cb -0.08 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 2yuo s SER 70 CO 0.19 -0.99 -0.08 -0.63 0.41 0.00 0.00 173.24 172.13 2yuo s ILE 71 N 2.16 0.64 -0.13 1.44 -1.09 -1.26 -5.15 121.20 117.81 2yuo s ILE 71 Ca 0.18 -0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 57.85 2yuo s ILE 71 Cb -0.17 -0.59 0.04 0.00 -1.58 0.00 0.00 42.46 40.17 2yuo s ILE 71 CO -0.01 0.02 0.43 0.00 -1.23 0.00 0.00 174.94 174.16 2yuo s ALA 72 N -0.54 -1.08 -0.20 9.38 0.00 -1.26 -4.89 121.76 123.17 2yuo s ALA 72 Ca -0.00 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2yuo s ALA 72 Cb -0.05 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.54 2yuo s ALA 72 CO 0.00 -0.23 0.06 0.43 0.00 0.00 0.00 175.76 176.03 2yuo n SER 73 N 2.47 -1.02 0.00 0.00 7.64 -1.26 -4.77 113.62 116.67 2yuo n SER 73 Ca -0.15 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2yuo n SER 73 Cb 0.57 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2yuo n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuo n GLY 74 N -0.53 0.25 0.12 0.23 0.00 -1.26 -4.62 105.19 99.38 2yuo n GLY 74 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2yuo n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuo n PRO 75 N -1.18 0.19 -1.48 1.61 -0.04 -1.26 -4.76 135.00 128.08 2yuo n PRO 75 Ca 0.00 0.42 -0.47 0.00 -0.04 0.00 0.00 63.50 63.41 2yuo n PRO 75 Cb 0.00 -1.86 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 2yuo n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yuo n SER 76 N -2.20 2.13 -4.37 3.54 2.88 -1.26 -4.74 113.62 109.59 2yuo n SER 76 Ca 0.02 0.24 -0.51 0.00 -1.33 0.00 0.00 58.87 57.29 2yuo n SER 76 Cb 0.22 -1.31 -0.12 0.00 -0.75 0.00 0.00 64.21 62.26 2yuo n SER 76 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yuo n SER 77 N 10.95 0.93 0.00 -3.46 3.41 -1.26 -5.04 113.62 119.16 2yuo n SER 77 Ca 0.41 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2yuo n SER 77 Cb 0.28 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2yuo n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49