#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wge s SER 2 N 0.00 3.86 0.06 1.61 0.01 -1.26 -4.96 113.70 113.02 1wge s SER 2 Ca 0.00 0.40 -0.32 0.00 1.31 0.00 0.00 55.95 57.34 1wge s SER 2 Cb 0.00 -0.68 -0.11 0.00 0.21 0.00 0.00 66.02 65.44 1wge s SER 2 CO 0.00 -2.27 1.87 -1.54 0.41 0.00 0.00 173.24 171.72 1wge n SER 3 N -3.45 3.92 -4.69 2.44 3.41 -1.26 -4.84 113.62 109.16 1wge n SER 3 Ca 0.12 0.96 -0.54 0.00 -0.26 0.00 0.00 58.87 59.15 1wge n SER 3 Cb 0.60 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 62.99 1wge n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wge n GLY 4 N 4.31 1.05 0.47 5.00 0.00 -1.26 -4.82 105.19 109.94 1wge n GLY 4 Ca 0.19 0.91 -0.04 0.00 0.00 0.00 0.00 46.02 47.08 1wge n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wge n SER 5 N 6.09 1.84 -4.74 1.61 2.88 -1.26 -5.04 113.62 114.99 1wge n SER 5 Ca 0.26 0.02 -0.36 0.00 -1.33 0.00 0.00 58.87 57.46 1wge n SER 5 Cb 0.19 -0.12 0.06 0.00 -0.75 0.00 0.00 64.21 63.59 1wge n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wge s SER 6 N -5.01 4.77 -0.45 -3.46 0.01 -1.26 -4.98 113.70 103.32 1wge s SER 6 Ca -0.07 2.45 -0.13 0.00 1.31 0.00 0.00 55.95 59.51 1wge s SER 6 Cb 0.02 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.72 1wge s SER 6 CO 0.10 -1.88 0.34 -0.83 0.41 0.00 0.00 173.24 171.38 1wge s GLY 7 N -1.65 2.02 -0.27 3.44 0.00 -1.26 -5.04 107.32 104.56 1wge s GLY 7 Ca 0.78 -2.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 1wge s GLY 7 CO 0.38 1.01 -0.02 1.06 0.00 0.00 0.00 173.10 175.53 1wge s MET 8 N 1.56 2.80 -0.75 2.90 1.00 -1.26 -5.06 119.30 120.50 1wge s MET 8 Ca 0.04 -1.01 -0.23 0.00 0.00 0.00 0.00 55.69 54.48 1wge s MET 8 Cb -0.24 -3.09 0.07 0.00 0.00 0.00 0.00 34.83 31.57 1wge s MET 8 CO 0.05 -0.45 1.10 0.00 0.00 0.00 0.00 175.02 175.72 1wge s ALA 9 N 1.34 3.04 -0.30 3.03 0.00 -1.26 -4.98 121.76 122.63 1wge s ALA 9 Ca -0.00 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.08 1wge s ALA 9 Cb -0.17 -4.03 0.08 0.00 0.00 0.00 0.00 23.12 18.99 1wge s ALA 9 CO -0.03 -2.99 -0.04 0.54 0.00 0.00 0.00 175.76 173.25 1wge s VAL 10 N 4.31 2.21 0.26 0.00 0.11 -1.26 -5.11 120.40 120.92 1wge s VAL 10 Ca 0.28 -1.95 0.07 0.00 -2.93 0.00 0.00 61.98 57.45 1wge s VAL 10 Cb -0.12 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 1wge s VAL 10 CO 0.07 -0.29 0.21 -0.36 -3.33 0.00 0.00 175.10 171.40 1wge s PHE 11 N 1.01 3.11 -0.08 1.54 0.40 -1.26 -4.65 117.98 118.05 1wge s PHE 11 Ca 0.00 -0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.05 1wge s PHE 11 Cb -0.20 -1.44 -0.29 0.00 0.51 0.00 0.00 43.02 41.60 1wge s PHE 11 CO -0.06 0.49 0.64 1.25 0.70 0.00 0.00 175.22 178.23 1wge h HIS 12 N 1.46 0.53 -1.81 0.36 -0.00 -1.90 -3.50 115.15 110.29 1wge h HIS 12 Ca -0.48 -0.39 0.19 0.00 -0.00 0.00 0.00 60.37 59.69 1wge h HIS 12 Cb 1.24 -0.02 -0.17 0.00 -0.00 0.00 0.00 27.41 28.45 1wge h HIS 12 CO 0.55 1.55 0.67 -0.51 -0.00 0.00 0.00 177.93 180.19 1wge s ASP 13 N -7.10 -0.24 -0.48 3.26 1.01 -1.26 -5.10 116.67 106.76 1wge s ASP 13 Ca -0.18 0.01 -0.16 0.00 0.71 0.00 0.00 52.55 52.93 1wge s ASP 13 Cb 0.04 0.25 0.06 0.00 1.01 0.00 0.00 42.92 44.28 1wge s ASP 13 CO 0.80 -0.40 0.45 -1.61 0.21 0.00 0.00 175.17 174.63 1wge s GLU 14 N -2.67 3.02 -0.04 8.23 2.02 -1.26 -2.76 118.70 125.23 1wge s GLU 14 Ca 0.07 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.89 1wge s GLU 14 Cb -0.01 -4.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.08 1wge s GLU 14 CO -0.06 -1.06 -0.10 0.08 0.02 0.00 0.00 175.26 174.14 1wge s VAL 15 N 1.92 3.45 0.29 2.63 1.01 -0.29 -4.92 120.40 124.49 1wge s VAL 15 Ca 0.07 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 1wge s VAL 15 Cb -0.22 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 1wge s VAL 15 CO 0.08 0.55 0.90 -1.61 0.00 0.00 0.00 175.10 175.03 1wge s GLU 16 N -0.92 4.57 0.39 2.72 2.02 -1.26 -0.44 118.70 125.78 1wge s GLU 16 Ca 0.13 1.27 0.14 0.00 0.02 0.00 0.00 54.97 56.53 1wge s GLU 16 Cb -0.11 -2.89 0.98 0.00 0.10 0.00 0.00 34.13 32.21 1wge s GLU 16 CO 0.02 0.34 1.86 0.97 0.02 0.00 0.00 175.26 178.47 1wge h ILE 17 N 2.72 0.74 -1.32 -1.63 6.09 -1.68 -0.62 117.51 121.82 1wge h ILE 17 Ca -0.47 -0.18 0.40 0.00 -1.37 0.00 0.00 64.86 63.25 1wge h ILE 17 Cb 1.19 0.18 -0.10 0.00 0.47 0.00 0.00 36.82 38.56 1wge h ILE 17 CO 0.65 0.09 0.88 1.05 -3.07 0.00 0.00 178.15 177.76 1wge h GLU 18 N 0.52 0.13 0.09 2.19 4.11 -1.92 1.11 114.58 120.79 1wge h GLU 18 Ca 0.46 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.62 1wge h GLU 18 Cb 0.97 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1wge h GLU 18 CO -0.19 0.08 -1.18 -0.44 0.07 0.00 0.00 179.01 177.35 1wge h ASP 19 N 0.13 0.28 -3.67 3.06 3.32 -1.50 -3.46 116.42 114.59 1wge h ASP 19 Ca 0.75 -0.31 -0.52 0.00 0.02 0.00 0.00 57.03 56.98 1wge h ASP 19 Cb 2.44 -0.09 0.21 0.00 0.22 0.00 0.00 39.33 42.11 1wge h ASP 19 CO -0.29 1.24 -0.25 0.49 -1.72 0.00 0.00 179.24 178.71 1wge n PHE 20 N -3.47 -0.52 -3.86 4.55 3.01 0.38 -4.98 117.46 112.58 1wge n PHE 20 Ca -0.06 0.27 -0.35 0.00 1.01 0.00 0.00 57.45 58.32 1wge n PHE 20 Cb 1.00 -1.85 -0.13 0.00 -0.01 0.00 0.00 39.48 38.49 1wge n PHE 20 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1wge s GLN 21 N -4.08 1.89 0.29 -1.08 0.74 -0.37 -4.85 119.66 112.20 1wge s GLN 21 Ca 0.62 -1.79 -0.29 0.00 0.05 0.00 0.00 55.36 53.94 1wge s GLN 21 Cb -0.22 -3.45 -0.09 0.00 1.10 0.00 0.00 33.01 30.35 1wge s GLN 21 CO 0.63 -1.00 1.10 -0.47 -0.55 0.00 0.00 175.29 175.00 1wge s TYR 22 N 1.08 3.55 -0.31 1.67 5.04 -1.26 -1.38 117.35 125.74 1wge s TYR 22 Ca 0.08 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 1wge s TYR 22 Cb -0.21 -3.27 0.10 0.00 0.35 0.00 0.00 41.96 38.92 1wge s TYR 22 CO -0.05 -0.56 0.08 0.34 -1.34 0.00 0.00 175.55 174.02 1wge s ASP 23 N -0.93 4.18 0.32 4.32 2.15 -1.03 -4.96 116.67 120.72 1wge s ASP 23 Ca 0.46 -1.73 0.09 0.00 0.43 0.00 0.00 52.55 51.80 1wge s ASP 23 Cb -0.31 -1.07 0.89 0.00 -0.30 0.00 0.00 42.92 42.13 1wge s ASP 23 CO 0.40 -0.40 1.72 1.05 -0.17 0.00 0.00 175.17 177.78 1wge h GLU 24 N 7.96 0.55 -0.96 4.34 -0.00 -1.94 1.44 114.58 125.98 1wge h GLU 24 Ca -0.11 -0.03 0.17 0.00 -0.00 0.00 0.00 59.36 59.39 1wge h GLU 24 Cb 1.02 -0.12 -0.17 0.00 -0.00 0.00 0.00 28.75 29.48 1wge h GLU 24 CO 0.48 0.36 -0.29 -3.47 -0.00 0.00 0.00 179.01 176.09 1wge n ASP 25 N -4.90 -0.45 -0.21 3.06 2.03 -1.26 -1.73 116.55 113.09 1wge n ASP 25 Ca 0.27 1.66 0.07 0.00 0.52 0.00 0.00 54.79 57.30 1wge n ASP 25 Cb 0.75 -0.45 0.10 0.00 -0.72 0.00 0.00 41.12 40.79 1wge n ASP 25 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1wge n SER 26 N -5.50 1.60 -3.99 1.67 3.41 -0.45 -5.00 113.62 105.35 1wge n SER 26 Ca 0.13 -2.75 -0.26 0.00 -0.26 0.00 0.00 58.87 55.73 1wge n SER 26 Cb 0.44 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wge n GLU 27 N -0.98 -0.90 -4.24 4.33 1.02 0.48 -4.83 120.64 115.53 1wge n GLU 27 Ca 0.11 0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 57.11 1wge n GLU 27 Cb 0.66 -2.84 -0.16 0.00 -0.02 0.00 0.00 31.44 29.07 1wge n GLU 27 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wge s THR 28 N -4.11 0.62 0.74 2.62 2.01 -1.11 -1.25 115.64 115.17 1wge s THR 28 Ca 0.03 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 1wge s THR 28 Cb -0.02 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.90 1wge s THR 28 CO 0.82 0.24 1.09 -0.31 -0.69 0.00 0.00 174.62 175.77 1wge s TYR 29 N 0.82 3.10 0.04 4.92 1.51 -0.94 -2.45 117.35 124.34 1wge s TYR 29 Ca -0.12 1.14 0.00 0.00 -1.01 0.00 0.00 57.07 57.09 1wge s TYR 29 Cb -0.14 -3.06 -0.03 0.00 -0.11 0.00 0.00 41.96 38.62 1wge s TYR 29 CO 0.01 -1.43 -0.04 -0.06 -1.11 0.00 0.00 175.55 172.92 1wge s PHE 30 N -3.23 0.48 -0.16 2.71 0.08 -0.48 -2.98 117.98 114.39 1wge s PHE 30 Ca 0.59 -0.71 -0.16 0.00 0.12 0.00 0.00 56.93 56.77 1wge s PHE 30 Cb -0.13 -0.32 0.04 0.00 -0.57 0.00 0.00 43.02 42.05 1wge s PHE 30 CO 0.53 -0.21 0.45 -0.47 -0.10 0.00 0.00 175.22 175.42 1wge s TYR 31 N -2.32 -0.49 -0.42 0.36 5.04 -1.20 -1.24 117.35 117.08 1wge s TYR 31 Ca -0.06 1.17 -0.28 0.00 -2.44 0.00 0.00 57.07 55.46 1wge s TYR 31 Cb -0.04 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 1wge s TYR 31 CO -0.03 -0.26 1.74 -1.25 -1.34 0.00 0.00 175.55 174.41 1wge s PRO 32 N 0.11 3.20 0.14 4.97 0.04 -1.26 0.53 135.00 142.73 1wge s PRO 32 Ca -0.01 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1wge s PRO 32 Cb -0.03 -4.21 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 1wge s PRO 32 CO 0.01 -2.03 0.91 0.00 0.04 0.00 0.00 177.00 175.93 1wge n PRO 34 N 2.30 0.49 -0.05 0.00 -0.04 -1.26 -2.63 135.00 133.81 1wge n PRO 34 Ca -0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1wge n PRO 34 Cb 0.49 -1.01 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 1wge n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wge n GLY 36 N 3.02 -1.08 3.76 0.00 0.00 -1.08 -5.07 105.19 104.75 1wge n GLY 36 Ca -0.17 0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1wge n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wge s ASP 37 N -1.74 5.96 0.01 1.61 1.11 -1.26 -4.56 116.67 117.80 1wge s ASP 37 Ca 0.00 2.57 -0.27 0.00 0.18 0.00 0.00 52.55 55.03 1wge s ASP 37 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1wge s ASP 37 CO 0.00 -1.08 0.83 0.20 1.18 0.00 0.00 175.17 176.30 1wge s ASN 38 N -1.01 7.22 1.09 0.27 0.01 -1.26 -3.51 114.94 117.76 1wge s ASN 38 Ca 0.63 1.47 -0.19 0.00 -0.71 0.00 0.00 52.86 54.06 1wge s ASN 38 Cb -0.35 -2.49 0.07 0.00 0.41 0.00 0.00 41.25 38.88 1wge s ASN 38 CO 0.44 -0.11 -0.13 0.49 -1.51 0.00 0.00 177.10 176.27 1wge n PHE 39 N 3.41 -1.46 -3.65 2.20 3.72 0.19 -4.69 117.46 117.18 1wge n PHE 39 Ca 0.01 0.20 -0.04 0.00 -0.05 0.00 0.00 57.45 57.56 1wge n PHE 39 Cb 0.51 -1.56 -0.06 0.00 -0.94 0.00 0.00 39.48 37.43 1wge n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wge s ALA 40 N -2.22 -1.92 -0.12 4.37 0.00 -0.84 -3.27 121.76 117.76 1wge s ALA 40 Ca 0.54 2.34 -0.04 0.00 0.00 0.00 0.00 51.96 54.80 1wge s ALA 40 Cb -0.10 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.48 1wge s ALA 40 CO 0.66 -0.66 0.09 -1.50 0.00 0.00 0.00 175.76 174.35 1wge s ILE 41 N 2.28 -0.12 0.21 0.00 2.07 -1.16 -3.42 121.20 121.06 1wge s ILE 41 Ca -0.08 0.10 -0.32 0.00 -1.41 0.00 0.00 60.65 58.94 1wge s ILE 41 Cb -0.09 -0.40 -0.12 0.00 0.13 0.00 0.00 42.46 41.98 1wge s ILE 41 CO -0.19 -0.08 1.69 0.35 -1.91 0.00 0.00 174.94 174.80 1wge n THR 42 N 5.29 0.09 -0.35 4.00 -2.24 -1.26 -2.22 114.28 117.59 1wge n THR 42 Ca -0.05 -0.02 0.28 0.00 -2.27 0.00 0.00 64.05 61.99 1wge n THR 42 Cb 0.49 -1.90 0.58 0.00 -2.10 0.00 0.00 70.33 67.41 1wge n THR 42 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1wge h LYS 43 N 6.45 0.25 -0.64 -0.78 3.11 -1.50 0.31 116.57 123.77 1wge h LYS 43 Ca -0.44 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.41 1wge h LYS 43 Cb 1.21 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.35 1wge h LYS 43 CO 0.93 0.16 0.41 1.49 -2.81 0.00 0.00 179.45 179.63 1wge h GLU 44 N 0.26 0.79 -0.48 1.90 4.57 -1.89 -2.53 114.58 117.20 1wge h GLU 44 Ca 0.64 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.83 1wge h GLU 44 Cb 1.88 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 30.23 1wge h GLU 44 CO -0.26 0.53 0.17 -0.44 -1.18 0.00 0.00 179.01 177.82 1wge h ASP 45 N 0.82 0.18 0.09 1.04 3.32 -0.73 -1.56 116.42 119.58 1wge h ASP 45 Ca 0.25 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.38 1wge h ASP 45 Cb -0.03 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1wge h ASP 45 CO -0.08 0.13 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.21 1wge h LEU 46 N 0.35 -0.84 -1.20 1.55 3.38 -1.37 -1.55 115.31 115.63 1wge h LEU 46 Ca 0.23 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.43 1wge h LEU 46 Cb 0.24 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1wge h LEU 46 CO -0.23 -0.37 0.59 -0.33 0.09 0.00 0.00 178.44 178.18 1wge h GLU 47 N -0.49 0.78 0.00 1.13 5.08 -1.20 0.44 114.58 120.32 1wge h GLU 47 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wge h GLU 47 Cb 0.53 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wge h GLU 47 CO -0.19 0.51 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 1wge n ASN 48 N -4.57 0.00 -0.23 1.42 3.02 -0.62 -4.81 115.26 109.47 1wge n ASN 48 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1wge n ASN 48 Cb 0.41 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1wge n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wge n GLY 49 N -0.40 1.00 0.00 7.41 0.00 0.15 -5.05 105.19 108.30 1wge n GLY 49 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wge n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wge n GLU 50 N -0.37 0.00 -3.15 1.61 -0.58 -0.72 -5.00 120.64 112.44 1wge n GLU 50 Ca 0.00 0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.76 1wge n GLU 50 Cb 0.26 -0.58 0.05 0.00 -0.57 0.00 0.00 31.44 30.61 1wge n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wge n ASP 51 N -1.79 -4.70 -3.75 1.62 8.00 -1.26 -4.97 116.55 109.69 1wge n ASP 51 Ca 0.00 -0.32 -0.17 0.00 0.71 0.00 0.00 54.79 55.01 1wge n ASP 51 Cb 0.00 -3.31 -0.17 0.00 -0.02 0.00 0.00 41.12 37.63 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wge s VAL 52 N -3.18 -0.05 -0.23 2.53 1.01 -1.26 -2.37 120.40 116.86 1wge s VAL 52 Ca 0.35 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 1wge s VAL 52 Cb -0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1wge s VAL 52 CO 0.44 0.12 0.05 0.00 0.00 0.00 0.00 175.10 175.71 1wge s ALA 53 N 1.36 3.15 0.05 5.51 0.00 -1.12 -4.78 121.76 125.94 1wge s ALA 53 Ca -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1wge s ALA 53 Cb -0.13 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1wge s ALA 53 CO -0.03 -0.33 0.26 0.99 0.00 0.00 0.00 175.76 176.65 1wge s THR 54 N 1.32 5.32 -0.17 0.00 2.01 -1.22 -3.25 115.64 119.65 1wge s THR 54 Ca 0.05 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 1wge s THR 54 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1wge s THR 54 CO 0.03 0.21 0.02 0.00 -0.69 0.00 0.00 174.62 174.19 1wge n PRO 56 N 3.48 0.49 0.00 0.00 -0.04 -1.26 -0.38 135.00 137.28 1wge n PRO 56 Ca -0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1wge n PRO 56 Cb 0.52 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1wge n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wge n SER 57 N -0.66 0.03 0.07 3.54 2.88 -1.26 -4.86 113.62 113.35 1wge n SER 57 Ca 0.04 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.68 1wge n SER 57 Cb 0.02 -0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 1wge n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wge n SER 59 N -2.60 -2.55 -4.73 0.00 3.41 0.49 -4.93 113.62 102.71 1wge n SER 59 Ca -0.02 0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1wge n SER 59 Cb 0.59 -1.62 0.08 0.00 -0.26 0.00 0.00 64.21 62.99 1wge n SER 59 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wge s LEU 60 N -1.46 3.43 -0.11 1.04 1.43 -1.26 -4.37 118.68 117.38 1wge s LEU 60 Ca 0.00 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1wge s LEU 60 Cb 0.00 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.65 1wge s LEU 60 CO 0.00 -2.07 -0.11 0.27 0.23 0.00 0.00 176.35 174.68 1wge s ILE 61 N -1.81 1.21 0.17 -0.59 -4.36 -1.24 -2.75 121.20 111.83 1wge s ILE 61 Ca 0.76 -0.43 0.11 0.00 -0.26 0.00 0.00 60.65 60.83 1wge s ILE 61 Cb -0.31 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 1wge s ILE 61 CO 0.42 0.39 -0.24 0.27 0.24 0.00 0.00 174.94 176.02 1wge s ILE 62 N 1.39 2.27 -0.21 8.37 -4.36 -1.20 -2.56 121.20 124.90 1wge s ILE 62 Ca 0.00 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.22 1wge s ILE 62 Cb -0.13 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 1wge s ILE 62 CO -0.06 -0.08 0.79 -0.75 0.24 0.00 0.00 174.94 175.08 1wge s LYS 63 N -2.49 4.22 -0.48 0.37 2.47 -1.11 -2.78 119.74 119.94 1wge s LYS 63 Ca 0.18 0.89 -0.21 0.00 -1.56 0.00 0.00 55.97 55.28 1wge s LYS 63 Cb -0.08 -3.61 0.04 0.00 -1.46 0.00 0.00 37.83 32.71 1wge s LYS 63 CO 0.08 -0.41 0.68 0.08 0.16 0.00 0.00 175.35 175.94 1wge s VAL 64 N 2.46 4.79 -0.79 4.02 1.01 -1.00 -1.14 120.40 129.75 1wge s VAL 64 Ca 0.35 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1wge s VAL 64 Cb -0.16 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1wge s VAL 64 CO 0.09 -0.74 1.30 -0.63 0.00 0.00 0.00 175.10 175.13 1wge s ILE 65 N 2.90 3.77 0.14 2.22 -1.09 0.42 -4.77 121.20 124.80 1wge s ILE 65 Ca 0.21 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1wge s ILE 65 Cb -0.16 -4.94 -0.04 0.00 -1.58 0.00 0.00 42.46 35.74 1wge s ILE 65 CO 0.17 -1.86 -0.05 -0.72 -1.23 0.00 0.00 174.94 171.24 1wge s TYR 66 N 5.55 1.13 -0.78 3.97 1.13 -1.26 -1.92 117.35 125.17 1wge s TYR 66 Ca 0.37 -0.90 -0.26 0.00 -1.41 0.00 0.00 57.07 54.87 1wge s TYR 66 Cb -0.07 -0.62 0.03 0.00 -1.10 0.00 0.00 41.96 40.19 1wge s TYR 66 CO 0.11 -0.09 1.39 -0.51 -2.51 0.00 0.00 175.55 173.94 1wge s ASP 67 N -3.13 6.10 0.62 -0.18 1.01 -1.26 -4.83 116.67 114.99 1wge s ASP 67 Ca 0.17 -0.56 0.26 0.00 0.71 0.00 0.00 52.55 53.14 1wge s ASP 67 Cb 0.05 -2.56 1.44 0.00 1.01 0.00 0.00 42.92 42.85 1wge s ASP 67 CO -0.00 -1.86 1.80 0.11 0.21 0.00 0.00 175.17 175.43 1wge h LYS 68 N 10.53 0.00 -0.30 8.23 1.57 -1.98 0.99 116.57 135.61 1wge h LYS 68 Ca -0.18 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1wge h LYS 68 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1wge h LYS 68 CO 1.30 0.00 -0.22 0.22 -0.57 0.00 0.00 179.45 180.18 1wge h ASP 69 N 0.00 0.72 -0.32 0.86 3.58 -1.92 0.67 116.42 120.00 1wge h ASP 69 Ca 0.00 -0.44 -0.15 0.00 0.42 0.00 0.00 57.03 56.86 1wge h ASP 69 Cb 0.70 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1wge h ASP 69 CO 0.00 1.01 -0.39 0.06 -2.88 0.00 0.00 179.24 177.03 1wge h GLN 70 N 0.43 0.84 0.01 0.28 3.07 -0.98 0.20 115.11 118.96 1wge h GLN 70 Ca 0.06 -0.47 -0.00 0.00 0.09 0.00 0.00 58.65 58.33 1wge h GLN 70 Cb 0.77 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1wge h GLN 70 CO 0.06 1.11 -0.00 0.74 0.09 0.00 0.00 178.83 180.82 1wge h PHE 71 N 0.62 -0.01 0.04 0.06 -1.00 -1.50 -3.38 116.94 111.77 1wge h PHE 71 Ca 0.04 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1wge h PHE 71 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1wge h PHE 71 CO 0.07 0.41 -0.02 0.52 -1.61 0.00 0.00 178.31 177.68 1wge h MET 72 N -0.43 -0.05 -6.30 1.51 2.86 -0.91 -3.42 114.93 108.18 1wge h MET 72 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1wge h MET 72 Cb 0.42 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 1wge h MET 72 CO 0.00 -0.03 1.13 0.00 1.06 0.00 0.00 176.91 179.07 1wge n GLY 74 N 5.40 -1.00 3.57 0.00 0.00 -1.26 -4.26 105.19 107.64 1wge n GLY 74 Ca 0.10 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 1wge n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wge s GLU 75 N 0.00 3.48 -0.60 1.61 2.56 -1.26 -4.92 118.70 119.57 1wge s GLU 75 Ca 0.00 -1.50 -0.26 0.00 0.00 0.00 0.00 54.97 53.21 1wge s GLU 75 Cb 0.00 -5.40 -0.07 0.00 2.00 0.00 0.00 34.13 30.66 1wge s GLU 75 CO 0.00 -2.70 2.26 0.95 -0.56 0.00 0.00 175.26 175.21 1wge s THR 76 N 6.28 3.11 0.50 -1.70 -4.23 -1.26 -4.92 115.64 113.43 1wge s THR 76 Ca 0.57 0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.88 1wge s THR 76 Cb 0.01 -3.29 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 1wge s THR 76 CO 0.04 -0.28 0.95 1.33 -0.54 0.00 0.00 174.62 176.13 1wge n VAL 77 N 7.94 2.89 -3.63 2.29 0.24 -1.26 -4.95 118.33 121.86 1wge n VAL 77 Ca 0.35 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.76 1wge n VAL 77 Cb 0.52 -1.13 -0.08 0.00 -1.47 0.00 0.00 33.84 31.68 1wge n VAL 77 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1wge s SER 78 N -0.96 5.60 0.16 -1.34 0.01 -1.26 -4.98 113.70 110.92 1wge s SER 78 Ca 0.68 -2.86 0.00 0.00 1.31 0.00 0.00 55.95 55.08 1wge s SER 78 Cb -0.49 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wge s SER 78 CO 0.53 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1wge n GLY 79 N 3.54 -3.35 3.76 3.44 0.00 -1.26 -4.64 105.19 106.68 1wge n GLY 79 Ca 0.10 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 1wge n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wge s PRO 80 N -4.95 4.45 -0.90 1.61 0.04 -1.26 -3.46 135.00 130.54 1wge s PRO 80 Ca 0.00 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.07 1wge s PRO 80 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1wge s PRO 80 CO 0.00 -0.07 0.77 0.45 0.04 0.00 0.00 177.00 178.19 1wge n SER 81 N 1.19 -3.49 -4.65 6.66 2.88 -1.26 -4.92 113.62 110.04 1wge n SER 81 Ca 0.00 -0.41 -0.42 0.00 -1.33 0.00 0.00 58.87 56.71 1wge n SER 81 Cb 0.43 -3.72 -0.03 0.00 -0.75 0.00 0.00 64.21 60.14 1wge n SER 81 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wge s SER 82 N -3.61 6.39 0.00 -3.46 1.04 -1.22 -5.20 113.70 107.64 1wge s SER 82 Ca 0.20 2.29 0.30 0.00 0.48 0.00 0.00 55.95 59.21 1wge s SER 82 Cb -0.09 -2.53 1.46 0.00 0.10 0.00 0.00 66.02 64.96 1wge s SER 82 CO 0.51 -1.15 1.97 0.61 0.98 0.00 0.00 173.24 176.16