#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 3.83 -0.27 1.61 0.15 -1.26 -5.03 113.70 112.73 1wge s SER 2 Ca 0.00 -3.58 -0.02 0.00 0.70 0.00 0.00 55.95 53.05 1wge s SER 2 Cb 0.00 -1.28 0.16 0.00 -1.71 0.00 0.00 66.02 63.19 1wge s SER 2 CO 0.00 -0.12 0.50 -0.44 1.20 0.00 0.00 173.24 174.39 1wge s SER 3 N -0.95 -0.67 0.00 5.45 0.01 -1.26 -4.98 113.70 111.30 1wge s SER 3 Ca 0.27 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1wge s SER 3 Cb -0.03 1.70 0.00 0.00 0.21 0.00 0.00 66.02 67.90 1wge s SER 3 CO -0.17 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1wge n GLY 4 N 5.40 3.30 3.61 3.44 0.00 -1.26 -5.11 105.19 114.57 1wge n GLY 4 Ca -0.02 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1wge n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wge s SER 5 N 0.00 3.37 -0.88 1.61 0.01 -1.26 -5.09 113.70 111.47 1wge s SER 5 Ca 0.00 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.66 1wge s SER 5 Cb 0.00 0.35 0.27 0.00 0.21 0.00 0.00 66.02 66.85 1wge s SER 5 CO 0.00 -0.81 1.10 -0.24 0.41 0.00 0.00 173.24 173.70 1wge n SER 6 N -1.18 5.08 0.00 2.44 2.88 -1.26 -4.99 113.62 116.59 1wge n SER 6 Ca -0.11 -3.39 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 1wge n SER 6 Cb 0.66 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1wge n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wge n GLY 7 N 1.26 3.07 4.15 0.46 0.00 -1.26 -4.86 105.19 108.02 1wge n GLY 7 Ca 0.27 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1wge n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wge n MET 8 N 0.00 -0.77 -1.74 1.61 0.00 -1.26 -4.71 117.12 110.25 1wge n MET 8 Ca 0.00 0.06 -0.30 0.00 -0.00 0.00 0.00 57.70 57.46 1wge n MET 8 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 33.22 30.15 1wge n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wge s ALA 9 N -4.12 1.53 -0.34 -5.12 0.00 -1.26 -4.90 121.76 107.55 1wge s ALA 9 Ca 0.11 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1wge s ALA 9 Cb -0.06 -4.42 0.09 0.00 0.00 0.00 0.00 23.12 18.73 1wge s ALA 9 CO 0.92 -4.73 0.05 0.54 0.00 0.00 0.00 175.76 172.53 1wge s VAL 10 N 11.81 2.46 0.31 0.00 0.11 -1.26 -5.10 120.40 128.73 1wge s VAL 10 Ca 0.85 -2.14 0.07 0.00 -2.93 0.00 0.00 61.98 57.84 1wge s VAL 10 Cb -0.14 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 1wge s VAL 10 CO 0.17 -0.50 0.32 -0.36 -3.33 0.00 0.00 175.10 171.40 1wge s PHE 11 N 0.99 3.03 -0.02 1.54 0.40 -1.26 -4.81 117.98 117.85 1wge s PHE 11 Ca 0.06 -0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 56.01 1wge s PHE 11 Cb -0.20 -1.75 -0.33 0.00 0.51 0.00 0.00 43.02 41.26 1wge s PHE 11 CO -0.07 0.23 0.85 1.25 0.70 0.00 0.00 175.22 178.19 1wge h HIS 12 N 1.21 0.77 -1.57 0.36 -0.00 -1.94 -3.49 115.15 110.49 1wge h HIS 12 Ca -0.46 -0.56 0.22 0.00 -0.00 0.00 0.00 60.37 59.57 1wge h HIS 12 Cb 1.25 -0.03 -0.19 0.00 -0.00 0.00 0.00 27.41 28.44 1wge h HIS 12 CO 0.51 1.53 0.76 -0.51 -0.00 0.00 0.00 177.93 180.22 1wge s ASP 13 N -7.33 -0.18 -0.42 3.26 1.01 -1.26 -5.11 116.67 106.65 1wge s ASP 13 Ca -0.13 0.03 -0.16 0.00 0.71 0.00 0.00 52.55 53.00 1wge s ASP 13 Cb 0.04 0.18 0.02 0.00 1.01 0.00 0.00 42.92 44.17 1wge s ASP 13 CO 0.88 -0.28 0.39 -1.61 0.21 0.00 0.00 175.17 174.76 1wge s GLU 14 N -2.34 3.04 -0.04 8.23 2.02 -1.26 -2.82 118.70 125.53 1wge s GLU 14 Ca 0.08 -0.89 0.05 0.00 0.02 0.00 0.00 54.97 54.23 1wge s GLU 14 Cb -0.01 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 1wge s GLU 14 CO -0.05 -0.83 -0.18 0.08 0.02 0.00 0.00 175.26 174.30 1wge s VAL 15 N 1.95 2.74 0.12 2.63 1.01 -0.17 -4.93 120.40 123.75 1wge s VAL 15 Ca 0.09 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1wge s VAL 15 Cb -0.18 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1wge s VAL 15 CO 0.12 0.59 0.87 -1.61 0.00 0.00 0.00 175.10 175.07 1wge s GLU 16 N -0.64 4.65 0.59 2.72 2.02 -1.26 -0.04 118.70 126.74 1wge s GLU 16 Ca 0.10 1.30 0.31 0.00 0.02 0.00 0.00 54.97 56.70 1wge s GLU 16 Cb -0.11 -3.34 1.33 0.00 0.10 0.00 0.00 34.13 32.12 1wge s GLU 16 CO 0.00 0.34 1.66 0.97 0.02 0.00 0.00 175.26 178.25 1wge h ILE 17 N 3.81 0.22 -0.93 -1.63 6.09 -1.57 0.27 117.51 123.78 1wge h ILE 17 Ca -0.44 0.00 0.21 0.00 -1.37 0.00 0.00 64.86 63.26 1wge h ILE 17 Cb 1.21 0.33 -0.07 0.00 0.47 0.00 0.00 36.82 38.75 1wge h ILE 17 CO 0.70 0.00 0.61 -0.33 -3.07 0.00 0.00 178.15 176.06 1wge h GLU 18 N 0.00 0.42 0.00 2.19 5.08 -1.91 0.23 114.58 120.59 1wge h GLU 18 Ca 0.43 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.56 1wge h GLU 18 Cb 2.17 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 31.29 1wge h GLU 18 CO -0.00 0.28 -0.97 -0.44 -1.00 0.00 0.00 179.01 176.88 1wge h ASP 19 N 0.44 0.00 -4.04 1.42 3.32 -0.83 -3.46 116.42 113.26 1wge h ASP 19 Ca 0.49 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 57.00 1wge h ASP 19 Cb 1.19 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.92 1wge h ASP 19 CO -0.21 0.97 0.26 0.49 -1.72 0.00 0.00 179.24 179.03 1wge n PHE 20 N -3.38 1.09 -3.57 4.55 3.01 0.80 -4.97 117.46 114.98 1wge n PHE 20 Ca -0.00 0.40 -0.41 0.00 1.01 0.00 0.00 57.45 58.45 1wge n PHE 20 Cb 0.92 -2.11 -0.09 0.00 -0.01 0.00 0.00 39.48 38.19 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 -3.80 2.53 0.01 -1.08 0.74 -0.49 -4.84 119.66 112.72 1wge s GLN 21 Ca 0.74 -1.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.19 1wge s GLN 21 Cb -0.31 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 1wge s GLN 21 CO 0.50 -1.11 1.18 -0.47 -0.55 0.00 0.00 175.29 174.85 1wge s TYR 22 N 1.39 3.34 -0.37 1.67 6.14 -1.26 -1.77 117.35 126.49 1wge s TYR 22 Ca 0.05 1.29 -0.00 0.00 0.64 0.00 0.00 57.07 59.05 1wge s TYR 22 Cb -0.25 -3.40 0.10 0.00 0.42 0.00 0.00 41.96 38.83 1wge s TYR 22 CO 0.00 -1.20 0.12 0.34 0.64 0.00 0.00 175.55 175.46 1wge s ASP 23 N 1.24 5.04 0.41 4.32 -1.08 -0.40 -4.96 116.67 121.23 1wge s ASP 23 Ca 0.57 -1.97 0.19 0.00 -0.52 0.00 0.00 52.55 50.82 1wge s ASP 23 Cb -0.27 -1.74 1.13 0.00 -1.46 0.00 0.00 42.92 40.58 1wge s ASP 23 CO 0.26 -0.45 1.78 1.05 0.52 0.00 0.00 175.17 178.33 1wge h GLU 24 N 7.89 0.36 -0.87 4.34 4.11 -1.95 0.24 114.58 128.70 1wge h GLU 24 Ca -0.11 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.44 1wge h GLU 24 Cb 1.04 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.06 1wge h GLU 24 CO 0.62 0.24 -0.31 -3.47 0.07 0.00 0.00 179.01 176.16 1wge n ASP 25 N -4.60 -0.50 -1.00 3.06 -0.08 -1.26 -1.88 116.55 110.29 1wge n ASP 25 Ca 0.25 1.51 0.05 0.00 -1.51 0.00 0.00 54.79 55.09 1wge n ASP 25 Cb 0.89 -0.38 0.11 0.00 2.34 0.00 0.00 41.12 44.08 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wge n SER 26 N -5.32 1.31 -3.90 1.67 7.64 -0.66 -5.00 113.62 109.37 1wge n SER 26 Ca 0.10 -2.87 -0.28 0.00 1.01 0.00 0.00 58.87 56.84 1wge n SER 26 Cb 0.37 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wge n GLU 27 N -0.30 -0.71 -4.23 1.43 1.02 0.75 -4.84 120.64 113.76 1wge n GLU 27 Ca 0.12 -0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 1wge n GLU 27 Cb 0.91 -2.06 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 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 -3.97 0.52 0.56 2.62 2.01 -1.10 -1.91 115.64 114.37 1wge s THR 28 Ca 0.17 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1wge s THR 28 Cb -0.10 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1wge s THR 28 CO 0.71 0.15 0.86 -0.31 -0.69 0.00 0.00 174.62 175.35 1wge s TYR 29 N -0.13 3.29 0.05 4.92 1.51 -0.72 -1.28 117.35 125.00 1wge s TYR 29 Ca 0.02 0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 56.70 1wge s TYR 29 Cb -0.03 -2.64 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 1wge s TYR 29 CO -0.00 -0.71 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.65 1wge s PHE 30 N -2.92 0.47 -0.24 2.71 0.08 -0.73 -2.86 117.98 114.49 1wge s PHE 30 Ca 0.52 -0.98 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 1wge s PHE 30 Cb -0.10 -0.35 0.07 0.00 -0.57 0.00 0.00 43.02 42.06 1wge s PHE 30 CO 0.44 -0.37 0.68 -0.47 -0.10 0.00 0.00 175.22 175.41 1wge s TYR 31 N -3.63 -0.74 -0.20 0.36 5.04 -1.16 -1.40 117.35 115.62 1wge s TYR 31 Ca 0.04 1.78 -0.29 0.00 -2.44 0.00 0.00 57.07 56.16 1wge s TYR 31 Cb 0.06 0.26 -0.03 0.00 0.35 0.00 0.00 41.96 42.60 1wge s TYR 31 CO -0.09 -0.38 1.60 -1.25 -1.34 0.00 0.00 175.55 174.09 1wge s PRO 32 N 0.25 3.86 -0.01 4.97 0.04 -1.26 0.54 135.00 143.40 1wge s PRO 32 Ca -0.01 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 1wge s PRO 32 Cb -0.04 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1wge s PRO 32 CO 0.02 -1.21 0.52 0.00 0.04 0.00 0.00 177.00 176.36 1wge n PRO 34 N 2.48 0.49 -0.01 0.00 -0.04 -1.26 -2.60 135.00 134.06 1wge n PRO 34 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1wge n PRO 34 Cb 0.51 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 3.40 -1.34 3.75 0.00 0.00 -1.07 -5.07 105.19 104.86 1wge n GLY 36 Ca -0.04 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.77 5.38 -0.11 1.61 1.11 -1.26 -4.54 116.67 116.09 1wge s ASP 37 Ca 0.00 2.53 -0.21 0.00 0.18 0.00 0.00 52.55 55.05 1wge s ASP 37 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1wge s ASP 37 CO 0.00 -1.47 0.61 0.20 1.18 0.00 0.00 175.17 175.68 1wge s ASN 38 N -1.29 6.82 1.03 0.27 0.01 -1.26 -3.42 114.94 117.10 1wge s ASN 38 Ca 0.73 0.98 -0.19 0.00 -0.71 0.00 0.00 52.86 53.66 1wge s ASN 38 Cb -0.34 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1wge s ASN 38 CO 0.39 -0.11 -0.46 0.49 -1.51 0.00 0.00 177.10 175.90 1wge n PHE 39 N 4.01 -2.16 -3.66 2.20 3.72 0.19 -4.64 117.46 117.13 1wge n PHE 39 Ca -0.03 0.26 -0.07 0.00 -0.05 0.00 0.00 57.45 57.56 1wge n PHE 39 Cb 0.51 -1.54 -0.08 0.00 -0.94 0.00 0.00 39.48 37.44 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 -2.17 -1.64 -0.06 4.37 0.00 -1.11 -3.00 121.76 118.15 1wge s ALA 40 Ca 0.48 2.09 -0.02 0.00 0.00 0.00 0.00 51.96 54.51 1wge s ALA 40 Cb -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1wge s ALA 40 CO 0.70 -0.53 0.04 -1.50 0.00 0.00 0.00 175.76 174.48 1wge s ILE 41 N 1.99 0.05 0.15 0.00 2.07 -1.14 -3.77 121.20 120.56 1wge s ILE 41 Ca -0.08 0.28 -0.31 0.00 -1.41 0.00 0.00 60.65 59.12 1wge s ILE 41 Cb -0.08 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.10 1wge s ILE 41 CO -0.17 0.17 1.52 0.42 -1.91 0.00 0.00 174.94 174.96 1wge s THR 42 N 2.10 2.80 0.35 4.00 -4.23 -1.26 -1.75 115.64 117.66 1wge s THR 42 Ca 0.05 0.58 0.17 0.00 -1.18 0.00 0.00 61.69 61.30 1wge s THR 42 Cb -0.12 -3.37 0.34 0.00 1.34 0.00 0.00 72.50 70.69 1wge s THR 42 CO -0.04 0.04 1.62 0.50 -0.54 0.00 0.00 174.62 176.21 1wge h LYS 43 N 6.80 0.16 -0.68 3.99 3.11 -1.71 0.66 116.57 128.90 1wge h LYS 43 Ca -0.42 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 57.51 1wge h LYS 43 Cb 1.21 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 32.32 1wge h LYS 43 CO 0.90 0.11 0.31 1.49 -2.81 0.00 0.00 179.45 179.44 1wge h GLU 44 N 0.17 0.50 -0.09 1.90 4.81 -1.89 -2.10 114.58 117.88 1wge h GLU 44 Ca 0.78 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 60.02 1wge h GLU 44 Cb 1.92 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 31.15 1wge h GLU 44 CO -0.69 0.33 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.33 1wge h ASP 45 N 0.52 -0.45 -0.15 1.04 5.19 -0.03 -1.41 116.42 121.13 1wge h ASP 45 Ca 0.34 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.88 1wge h ASP 45 Cb 0.41 0.21 -0.06 0.00 0.18 0.00 0.00 39.33 40.06 1wge h ASP 45 CO -0.30 -0.20 -0.30 -0.07 -3.12 0.00 0.00 179.24 175.26 1wge h LEU 46 N -0.20 -0.92 -0.85 1.55 3.38 -1.32 -0.73 115.31 116.22 1wge h LEU 46 Ca 0.08 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1wge h LEU 46 Cb 0.32 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1wge h LEU 46 CO -0.21 -0.34 0.45 -0.33 0.09 0.00 0.00 178.44 178.11 1wge h GLU 47 N -0.36 0.65 0.00 1.13 5.08 -1.13 0.55 114.58 120.49 1wge h GLU 47 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1wge h GLU 47 Cb 0.52 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wge h GLU 47 CO -0.35 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.17 1wge n ASN 48 N -4.84 0.07 -0.17 1.42 3.02 -0.51 -4.70 115.26 109.56 1wge n ASN 48 Ca 0.16 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1wge n ASN 48 Cb 0.40 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.45 1.05 0.07 7.41 0.00 0.19 -5.03 105.19 108.43 1wge n GLY 49 Ca 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 1wge n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wge h GLU 50 N 0.00 0.00 -6.52 1.61 4.39 -1.22 -3.48 114.58 109.36 1wge h GLU 50 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1wge h GLU 50 Cb 0.45 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.99 1wge h GLU 50 CO 0.00 0.41 -0.81 -0.40 -1.16 0.00 0.00 179.01 177.05 1wge n ASP 51 N -4.64 -3.57 -3.79 1.42 5.75 -1.26 -4.94 116.55 105.52 1wge n ASP 51 Ca -0.09 -0.91 -0.20 0.00 -0.01 0.00 0.00 54.79 53.58 1wge n ASP 51 Cb 0.29 -3.28 -0.17 0.00 -1.03 0.00 0.00 41.12 36.93 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1wge s VAL 52 N -3.37 0.23 -0.29 2.12 1.01 -1.26 -2.29 120.40 116.56 1wge s VAL 52 Ca 0.62 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 1wge s VAL 52 Cb -0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1wge s VAL 52 CO 0.88 0.19 0.09 0.00 0.00 0.00 0.00 175.10 176.26 1wge s ALA 53 N 1.46 3.11 -0.03 5.51 0.00 -1.13 -4.78 121.76 125.90 1wge s ALA 53 Ca -0.03 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 1wge s ALA 53 Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1wge s ALA 53 CO -0.03 -0.82 0.26 0.99 0.00 0.00 0.00 175.76 176.17 1wge s THR 54 N 1.54 5.30 -0.19 0.00 2.01 -1.23 -3.25 115.64 119.82 1wge s THR 54 Ca 0.04 0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.29 1wge s THR 54 Cb -0.17 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1wge s THR 54 CO 0.03 0.50 0.10 0.00 -0.69 0.00 0.00 174.62 174.56 1wge n PRO 56 N 3.47 0.49 0.02 0.00 -0.04 -1.26 0.10 135.00 137.77 1wge n PRO 56 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1wge n PRO 56 Cb 0.52 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.65 0.58 0.02 3.54 2.88 -1.26 -4.86 113.62 113.87 1wge n SER 57 Ca 0.03 0.08 0.11 0.00 -1.33 0.00 0.00 58.87 57.76 1wge n SER 57 Cb 0.02 -0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.36 -2.68 -4.76 0.00 7.64 0.12 -4.92 113.62 106.65 1wge n SER 59 Ca -0.03 -0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.47 1wge n SER 59 Cb 0.56 -2.01 0.01 0.00 -1.01 0.00 0.00 64.21 61.77 1wge n SER 59 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wge s LEU 60 N -2.04 3.93 -0.15 -3.43 1.43 -1.26 -4.40 118.68 112.76 1wge s LEU 60 Ca 0.00 2.46 0.01 0.00 -1.03 0.00 0.00 54.13 55.57 1wge s LEU 60 Cb 0.00 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 41.96 1wge s LEU 60 CO 0.00 -1.18 -0.18 0.27 0.23 0.00 0.00 176.35 175.49 1wge s ILE 61 N -1.47 1.83 0.21 -0.59 -4.36 -1.24 -2.75 121.20 112.83 1wge s ILE 61 Ca 0.67 -0.82 0.11 0.00 -0.26 0.00 0.00 60.65 60.36 1wge s ILE 61 Cb -0.32 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 1wge s ILE 61 CO 0.39 0.50 -0.22 0.27 0.24 0.00 0.00 174.94 176.12 1wge s ILE 62 N 1.17 2.45 -0.29 8.37 -4.36 -1.20 -3.02 121.20 124.31 1wge s ILE 62 Ca -0.00 -2.09 -0.24 0.00 -0.26 0.00 0.00 60.65 58.06 1wge s ILE 62 Cb -0.14 -2.21 -0.00 0.00 1.25 0.00 0.00 42.46 41.36 1wge s ILE 62 CO -0.08 -0.18 0.82 -0.75 0.24 0.00 0.00 174.94 174.99 1wge s LYS 63 N -2.89 4.03 -0.61 0.37 2.47 -1.13 -2.83 119.74 119.16 1wge s LYS 63 Ca 0.23 0.72 -0.21 0.00 -1.56 0.00 0.00 55.97 55.15 1wge s LYS 63 Cb -0.07 -3.70 0.08 0.00 -1.46 0.00 0.00 37.83 32.67 1wge s LYS 63 CO 0.11 -0.64 0.85 0.08 0.16 0.00 0.00 175.35 175.92 1wge s VAL 64 N 2.96 4.52 -0.72 4.02 1.01 -0.97 -1.00 120.40 130.23 1wge s VAL 64 Ca 0.34 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1wge s VAL 64 Cb -0.14 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.67 1wge s VAL 64 CO 0.11 -1.27 1.49 -0.63 0.00 0.00 0.00 175.10 174.81 1wge s ILE 65 N 3.52 3.61 0.23 2.22 -1.09 0.95 -4.71 121.20 125.94 1wge s ILE 65 Ca 0.19 0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.93 1wge s ILE 65 Cb -0.19 -4.60 -0.05 0.00 -1.58 0.00 0.00 42.46 36.04 1wge s ILE 65 CO 0.10 -1.55 -0.09 -0.72 -1.23 0.00 0.00 174.94 171.46 1wge s TYR 66 N 6.85 1.75 -0.76 3.97 -0.85 -1.26 -1.56 117.35 125.49 1wge s TYR 66 Ca 0.47 -0.68 -0.24 0.00 -0.52 0.00 0.00 57.07 56.09 1wge s TYR 66 Cb -0.09 -0.92 0.06 0.00 0.38 0.00 0.00 41.96 41.39 1wge s TYR 66 CO 0.15 0.25 1.16 -0.51 -1.52 0.00 0.00 175.55 175.08 1wge s ASP 67 N -3.35 6.25 0.27 -0.18 1.01 -1.26 -4.88 116.67 114.52 1wge s ASP 67 Ca 0.26 -0.93 -0.01 0.00 0.71 0.00 0.00 52.55 52.58 1wge s ASP 67 Cb 0.02 -2.49 0.50 0.00 1.01 0.00 0.00 42.92 41.96 1wge s ASP 67 CO 0.09 -1.57 1.81 0.11 0.21 0.00 0.00 175.17 175.81 1wge h LYS 68 N 9.71 0.82 -0.52 8.23 1.57 -1.98 -0.52 116.57 133.88 1wge h LYS 68 Ca -0.19 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1wge h LYS 68 Cb 1.05 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1wge h LYS 68 CO 1.24 0.54 1.01 -0.44 -0.57 0.00 0.00 179.45 181.24 1wge h ASP 69 N 0.84 0.00 0.01 0.86 3.32 -1.98 0.65 116.42 120.12 1wge h ASP 69 Ca 0.46 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 57.09 1wge h ASP 69 Cb 0.49 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 1wge h ASP 69 CO -0.28 0.00 -2.33 0.00 -1.72 0.00 0.00 179.24 174.91 1wge n GLN 70 N -2.97 0.60 0.06 3.56 1.13 -0.21 -3.68 117.38 115.87 1wge n GLN 70 Ca 0.11 0.29 -0.13 0.00 -1.94 0.00 0.00 57.00 55.33 1wge n GLN 70 Cb 1.18 -1.54 -0.08 0.00 0.11 0.00 0.00 30.24 29.90 1wge n GLN 70 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1wge h PHE 71 N -0.77 -0.10 0.49 1.08 -1.00 -0.32 -3.32 116.94 113.00 1wge h PHE 71 Ca -0.62 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.13 1wge h PHE 71 Cb 1.64 0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.24 1wge h PHE 71 CO -0.03 0.10 -0.23 0.52 -1.61 0.00 0.00 178.31 177.05 1wge h MET 72 N -0.29 -0.63 -6.05 1.51 2.86 -0.16 -3.42 114.93 108.75 1wge h MET 72 Ca -0.01 0.04 -0.67 0.00 -2.06 0.00 0.00 59.70 57.00 1wge h MET 72 Cb 0.25 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1wge h MET 72 CO 0.02 -0.42 1.31 0.00 1.06 0.00 0.00 176.91 178.87 1wge n GLY 74 N 5.90 1.07 3.63 0.00 0.00 -1.26 -4.70 105.19 109.82 1wge n GLY 74 Ca 0.36 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1wge n GLY 74 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wge s GLU 75 N 0.00 1.97 -0.54 1.61 -1.05 -1.26 -4.83 118.70 114.60 1wge s GLU 75 Ca 0.00 -2.13 -0.05 0.00 -0.15 0.00 0.00 54.97 52.64 1wge s GLU 75 Cb 0.00 -1.60 0.14 0.00 -0.44 0.00 0.00 34.13 32.23 1wge s GLU 75 CO 0.00 -0.08 0.38 0.99 0.95 0.00 0.00 175.26 177.49 1wge s THR 76 N -2.74 3.89 -1.14 1.83 2.01 -1.26 -4.76 115.64 113.46 1wge s THR 76 Ca 0.32 -2.35 -0.14 0.00 0.31 0.00 0.00 61.69 59.84 1wge s THR 76 Cb 0.09 -3.56 0.14 0.00 0.01 0.00 0.00 72.50 69.18 1wge s THR 76 CO 0.17 -0.81 0.34 1.33 -0.69 0.00 0.00 174.62 174.95 1wge n VAL 77 N 4.22 -0.04 -4.46 3.82 0.24 -1.26 -4.85 118.33 116.00 1wge n VAL 77 Ca 0.01 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.34 61.95 1wge n VAL 77 Cb 0.40 -0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 32.34 1wge n VAL 77 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wge s SER 78 N -2.47 4.91 0.00 -1.34 1.04 -1.26 -5.02 113.70 109.56 1wge s SER 78 Ca 0.48 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1wge s SER 78 Cb -0.28 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1wge s SER 78 CO 0.63 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.76 1wge n GLY 79 N 2.64 -1.68 2.40 7.32 0.00 -1.26 -5.03 105.19 109.57 1wge n GLY 79 Ca -0.18 0.82 -0.20 0.00 0.00 0.00 0.00 46.02 46.45 1wge n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wge n PRO 80 N 0.00 -2.47 -0.24 1.61 -0.04 -1.26 -4.92 135.00 127.67 1wge n PRO 80 Ca 0.00 -1.20 0.02 0.00 -0.04 0.00 0.00 63.50 62.29 1wge n PRO 80 Cb 0.00 -1.12 0.15 0.00 -0.04 0.00 0.00 33.50 32.49 1wge n PRO 80 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wge h SER 81 N -2.19 0.38 -4.21 3.54 4.64 -2.04 -3.41 113.55 110.26 1wge h SER 81 Ca -0.28 0.07 -0.51 0.00 -0.47 0.00 0.00 61.79 60.60 1wge h SER 81 Cb 0.86 0.02 0.11 0.00 -0.31 0.00 0.00 62.40 63.08 1wge h SER 81 CO 0.18 0.21 0.37 -0.44 -0.87 0.00 0.00 176.83 176.27 1wge s SER 82 N -5.44 4.87 0.00 4.97 0.01 -1.26 -5.36 113.70 111.49 1wge s SER 82 Ca -0.13 2.02 0.04 0.00 1.31 0.00 0.00 55.95 59.19 1wge s SER 82 Cb 0.18 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 64.07 1wge s SER 82 CO 0.76 -1.79 0.69 0.61 0.41 0.00 0.00 173.24 173.92