#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wge n SER 2 N 0.00 -1.42 -0.08 1.61 2.88 -1.26 -4.92 113.62 110.43 1wge n SER 2 Ca 0.00 1.03 -0.20 0.00 -1.33 0.00 0.00 58.87 58.36 1wge n SER 2 Cb 0.00 -0.98 -0.12 0.00 -0.75 0.00 0.00 64.21 62.36 1wge n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wge h SER 3 N 0.88 0.04 0.00 -3.46 0.87 -2.06 -3.38 113.55 106.44 1wge h SER 3 Ca -0.33 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.58 1wge h SER 3 Cb 1.43 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1wge h SER 3 CO 0.54 1.41 0.00 0.61 -0.53 0.00 0.00 176.83 178.86 1wge n GLY 4 N 1.51 -1.44 3.42 5.77 0.00 -1.26 -4.51 105.19 108.68 1wge n GLY 4 Ca -0.27 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 1wge n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wge s SER 5 N -1.78 6.85 -0.65 1.61 1.04 -1.26 -4.99 113.70 114.53 1wge s SER 5 Ca 0.00 -2.60 -0.24 0.00 0.48 0.00 0.00 55.95 53.59 1wge s SER 5 Cb 0.00 -2.34 0.05 0.00 0.10 0.00 0.00 66.02 63.83 1wge s SER 5 CO 0.00 -0.79 1.05 -0.55 0.98 0.00 0.00 173.24 173.93 1wge s SER 6 N 2.85 6.22 0.32 7.02 0.15 -1.26 -4.77 113.70 124.23 1wge s SER 6 Ca 0.32 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1wge s SER 6 Cb -0.06 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wge s SER 6 CO -0.07 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.49 1wge n GLY 7 N 5.28 -5.01 3.63 9.45 0.00 -1.26 -4.97 105.19 112.32 1wge n GLY 7 Ca -0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1wge n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wge s MET 8 N -1.97 3.52 -0.83 1.61 1.00 -1.26 -5.04 119.30 116.33 1wge s MET 8 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 55.69 55.05 1wge s MET 8 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 31.83 1wge s MET 8 CO 0.00 0.45 1.75 0.00 0.00 0.00 0.00 175.02 177.22 1wge s ALA 9 N -0.17 2.12 -0.32 3.03 0.00 -1.26 -4.93 121.76 120.23 1wge s ALA 9 Ca 0.06 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.61 1wge s ALA 9 Cb -0.12 -4.45 0.08 0.00 0.00 0.00 0.00 23.12 18.63 1wge s ALA 9 CO 0.02 -4.18 0.02 0.54 0.00 0.00 0.00 175.76 172.17 1wge s VAL 10 N 8.33 2.52 0.23 0.00 0.11 -1.26 -5.10 120.40 125.22 1wge s VAL 10 Ca 0.61 -1.97 0.06 0.00 -2.93 0.00 0.00 61.98 57.74 1wge s VAL 10 Cb -0.07 -2.68 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 1wge s VAL 10 CO 0.05 -0.39 0.26 -0.36 -3.33 0.00 0.00 175.10 171.33 1wge s PHE 11 N 1.04 3.27 -0.10 1.54 0.40 -1.26 -4.60 117.98 118.28 1wge s PHE 11 Ca 0.03 -0.05 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 1wge s PHE 11 Cb -0.20 -1.50 -0.27 0.00 0.51 0.00 0.00 43.02 41.56 1wge s PHE 11 CO -0.06 0.49 0.49 1.25 0.70 0.00 0.00 175.22 178.10 1wge h HIS 12 N 1.52 0.53 -1.51 0.36 -0.00 -1.90 -3.50 115.15 110.65 1wge h HIS 12 Ca -0.50 -0.39 0.24 0.00 -0.00 0.00 0.00 60.37 59.73 1wge h HIS 12 Cb 1.23 -0.02 -0.19 0.00 -0.00 0.00 0.00 27.41 28.42 1wge h HIS 12 CO 0.52 1.69 0.79 -0.51 -0.00 0.00 0.00 177.93 180.42 1wge s ASP 13 N -7.12 -0.15 -0.47 3.26 1.01 -1.26 -5.09 116.67 106.85 1wge s ASP 13 Ca -0.20 0.02 -0.16 0.00 0.71 0.00 0.00 52.55 52.92 1wge s ASP 13 Cb 0.06 0.16 0.07 0.00 1.01 0.00 0.00 42.92 44.21 1wge s ASP 13 CO 0.79 -0.25 0.40 -1.61 0.21 0.00 0.00 175.17 174.70 1wge s GLU 14 N -2.35 2.98 -0.04 8.23 2.02 -1.26 -2.22 118.70 126.05 1wge s GLU 14 Ca 0.09 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 53.78 1wge s GLU 14 Cb -0.01 -4.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 1wge s GLU 14 CO -0.05 -1.01 -0.04 0.08 0.02 0.00 0.00 175.26 174.26 1wge s VAL 15 N 1.68 3.91 0.12 2.63 1.01 0.54 -4.89 120.40 125.40 1wge s VAL 15 Ca 0.05 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 1wge s VAL 15 Cb -0.24 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 1wge s VAL 15 CO 0.07 0.51 0.88 -1.61 0.00 0.00 0.00 175.10 174.96 1wge s GLU 16 N -1.10 4.65 0.50 2.72 2.02 -1.26 0.01 118.70 126.25 1wge s GLU 16 Ca 0.15 1.32 0.36 0.00 0.02 0.00 0.00 54.97 56.81 1wge s GLU 16 Cb -0.11 -3.34 1.50 0.00 0.10 0.00 0.00 34.13 32.28 1wge s GLU 16 CO 0.05 0.32 1.71 0.97 0.02 0.00 0.00 175.26 178.33 1wge h ILE 17 N 3.84 0.28 -1.10 -1.63 6.09 -1.61 0.32 117.51 123.70 1wge h ILE 17 Ca -0.44 -0.03 0.30 0.00 -1.37 0.00 0.00 64.86 63.33 1wge h ILE 17 Cb 1.21 0.20 -0.10 0.00 0.47 0.00 0.00 36.82 38.59 1wge h ILE 17 CO 0.70 0.01 0.71 -0.33 -3.07 0.00 0.00 178.15 176.17 1wge h GLU 18 N 0.08 0.31 0.02 2.19 4.39 -1.91 0.64 114.58 120.29 1wge h GLU 18 Ca 0.70 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 60.18 1wge h GLU 18 Cb 2.55 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 31.11 1wge h GLU 18 CO -0.13 0.21 -0.96 -0.44 -1.16 0.00 0.00 179.01 176.52 1wge h ASP 19 N 0.32 0.14 -4.05 1.42 3.32 -0.74 -3.46 116.42 113.38 1wge h ASP 19 Ca 0.64 -0.13 -0.55 0.00 0.02 0.00 0.00 57.03 57.01 1wge h ASP 19 Cb 1.74 -0.04 0.17 0.00 0.22 0.00 0.00 39.33 41.42 1wge h ASP 19 CO -0.33 1.02 0.36 0.49 -1.72 0.00 0.00 179.24 179.06 1wge n PHE 20 N -3.51 1.43 -3.68 4.55 3.01 0.22 -4.97 117.46 114.51 1wge n PHE 20 Ca -0.02 0.41 -0.39 0.00 1.01 0.00 0.00 57.45 58.46 1wge n PHE 20 Cb 0.88 -2.18 -0.12 0.00 -0.01 0.00 0.00 39.48 38.06 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 -3.57 3.12 -0.01 -1.08 2.00 -0.36 -4.83 119.66 114.93 1wge s GLN 21 Ca 0.78 -0.86 -0.26 0.00 -2.00 0.00 0.00 55.36 53.02 1wge s GLN 21 Cb -0.35 -3.54 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 1wge s GLN 21 CO 0.46 -0.50 0.82 -0.47 -0.50 0.00 0.00 175.29 175.10 1wge s TYR 22 N 1.56 3.65 -0.33 1.67 6.14 -1.26 -0.83 117.35 127.94 1wge s TYR 22 Ca 0.03 1.48 0.04 0.00 0.64 0.00 0.00 57.07 59.26 1wge s TYR 22 Cb -0.18 -2.93 0.10 0.00 0.42 0.00 0.00 41.96 39.37 1wge s TYR 22 CO 0.05 0.10 0.04 0.34 0.64 0.00 0.00 175.55 176.72 1wge s ASP 23 N 0.65 4.74 0.39 4.32 2.15 -0.63 -4.97 116.67 123.32 1wge s ASP 23 Ca 0.43 -2.10 0.19 0.00 0.43 0.00 0.00 52.55 51.51 1wge s ASP 23 Cb -0.20 -1.62 1.14 0.00 -0.30 0.00 0.00 42.92 41.95 1wge s ASP 23 CO 0.23 -0.37 1.73 1.05 -0.17 0.00 0.00 175.17 177.64 1wge h GLU 24 N 7.63 0.33 -0.76 4.34 4.11 -1.95 0.18 114.58 128.46 1wge h GLU 24 Ca -0.05 -0.02 0.13 0.00 0.07 0.00 0.00 59.36 59.49 1wge h GLU 24 Cb 1.02 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.07 1wge h GLU 24 CO 0.52 0.22 -0.25 -0.25 0.07 0.00 0.00 179.01 179.31 1wge n ASP 25 N -4.71 -0.40 -1.35 3.06 9.92 -1.26 -1.87 116.55 119.94 1wge n ASP 25 Ca 0.28 1.31 0.04 0.00 -0.53 0.00 0.00 54.79 55.89 1wge n ASP 25 Cb 0.98 -0.34 0.07 0.00 -0.64 0.00 0.00 41.12 41.20 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wge n SER 26 N -5.16 1.27 -3.87 -2.24 7.64 -0.59 -5.01 113.62 105.67 1wge n SER 26 Ca 0.09 -2.51 -0.27 0.00 1.01 0.00 0.00 58.87 57.20 1wge n SER 26 Cb 0.33 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.02 -0.74 -4.40 1.43 1.02 0.52 -4.83 120.64 113.66 1wge n GLU 27 Ca 0.10 -0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 1wge n GLU 27 Cb 1.02 -2.05 -0.15 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.77 0.58 2.62 2.01 -1.14 -1.88 115.64 114.63 1wge s THR 28 Ca 0.15 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1wge s THR 28 Cb -0.08 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1wge s THR 28 CO 0.70 0.22 0.89 -0.31 -0.69 0.00 0.00 174.62 175.43 1wge s TYR 29 N -0.15 3.30 0.04 4.92 1.51 -0.90 -1.61 117.35 124.47 1wge s TYR 29 Ca 0.02 0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 56.77 1wge s TYR 29 Cb -0.05 -2.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 1wge s TYR 29 CO -0.00 -0.76 -0.03 -0.06 -1.11 0.00 0.00 175.55 173.59 1wge s PHE 30 N -2.97 0.45 -0.22 2.71 0.08 -0.01 -2.95 117.98 115.07 1wge s PHE 30 Ca 0.53 -0.92 -0.24 0.00 0.12 0.00 0.00 56.93 56.43 1wge s PHE 30 Cb -0.11 -0.33 0.06 0.00 -0.57 0.00 0.00 43.02 42.08 1wge s PHE 30 CO 0.45 -0.33 0.65 -0.47 -0.10 0.00 0.00 175.22 175.43 1wge s TYR 31 N -3.23 -0.70 -0.25 0.36 5.04 -1.19 -1.22 117.35 116.17 1wge s TYR 31 Ca 0.01 1.65 -0.29 0.00 -2.44 0.00 0.00 57.07 56.00 1wge s TYR 31 Cb 0.03 0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 1wge s TYR 31 CO -0.07 -0.38 1.63 -1.25 -1.34 0.00 0.00 175.55 174.14 1wge s PRO 32 N 0.12 3.72 0.04 4.97 0.04 -1.26 0.92 135.00 143.55 1wge s PRO 32 Ca -0.02 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 1wge s PRO 32 Cb -0.04 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 1wge s PRO 32 CO 0.02 -1.39 0.63 0.00 0.04 0.00 0.00 177.00 176.30 1wge n PRO 34 N 2.32 0.49 -0.00 0.00 -0.04 -1.26 -2.58 135.00 133.92 1wge n PRO 34 Ca -0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wge n PRO 34 Cb 0.51 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 3.46 -1.23 3.76 0.00 0.00 -1.07 -5.08 105.19 105.03 1wge n GLY 36 Ca -0.01 0.45 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.50 5.73 -0.05 1.61 1.11 -1.26 -4.53 116.67 116.78 1wge s ASP 37 Ca 0.00 2.63 -0.24 0.00 0.18 0.00 0.00 52.55 55.12 1wge s ASP 37 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1wge s ASP 37 CO 0.00 -1.25 0.74 0.20 1.18 0.00 0.00 175.17 176.05 1wge s ASN 38 N -0.99 7.05 1.04 0.27 0.01 -1.26 -3.43 114.94 117.63 1wge s ASN 38 Ca 0.66 1.27 -0.20 0.00 -0.71 0.00 0.00 52.86 53.88 1wge s ASN 38 Cb -0.37 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 38.83 1wge s ASN 38 CO 0.45 -0.13 -0.47 0.49 -1.51 0.00 0.00 177.10 175.93 1wge n PHE 39 N 3.75 -1.86 -3.65 2.20 3.72 0.26 -4.65 117.46 117.23 1wge n PHE 39 Ca -0.00 0.28 -0.04 0.00 -0.05 0.00 0.00 57.45 57.64 1wge n PHE 39 Cb 0.51 -1.53 -0.06 0.00 -0.94 0.00 0.00 39.48 37.46 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 -1.88 -0.13 4.37 0.00 -1.12 -3.14 121.76 117.70 1wge s ALA 40 Ca 0.49 2.30 -0.04 0.00 0.00 0.00 0.00 51.96 54.71 1wge s ALA 40 Cb -0.08 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.54 1wge s ALA 40 CO 0.68 -0.65 0.13 -1.50 0.00 0.00 0.00 175.76 174.42 1wge s ILE 41 N 2.27 -0.18 0.23 0.00 2.07 -1.15 -3.77 121.20 120.67 1wge s ILE 41 Ca -0.08 0.08 -0.31 0.00 -1.41 0.00 0.00 60.65 58.94 1wge s ILE 41 Cb -0.09 -0.45 -0.11 0.00 0.13 0.00 0.00 42.46 41.94 1wge s ILE 41 CO -0.19 -0.08 1.59 0.42 -1.91 0.00 0.00 174.94 174.78 1wge s THR 42 N 2.22 2.29 0.38 4.00 -4.23 -1.26 -2.12 115.64 116.92 1wge s THR 42 Ca 0.04 0.22 0.18 0.00 -1.18 0.00 0.00 61.69 60.96 1wge s THR 42 Cb -0.14 -3.14 0.38 0.00 1.34 0.00 0.00 72.50 70.94 1wge s THR 42 CO -0.08 0.03 1.72 0.50 -0.54 0.00 0.00 174.62 176.25 1wge h LYS 43 N 5.84 0.35 -0.41 3.99 3.11 -1.70 0.16 116.57 127.90 1wge h LYS 43 Ca -0.45 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.44 1wge h LYS 43 Cb 1.21 -0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 32.31 1wge h LYS 43 CO 0.86 0.23 0.08 1.49 -2.81 0.00 0.00 179.45 179.31 1wge h GLU 44 N 0.36 0.21 -0.27 1.90 4.22 -1.89 -2.26 114.58 116.84 1wge h GLU 44 Ca 0.67 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 60.14 1wge h GLU 44 Cb 1.68 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 1wge h GLU 44 CO -0.40 0.14 -0.02 -0.44 -2.18 0.00 0.00 179.01 176.11 1wge h ASP 45 N 0.22 -0.15 -0.31 1.04 3.32 -1.05 -2.07 116.42 117.41 1wge h ASP 45 Ca 0.20 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.38 1wge h ASP 45 Cb 0.24 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 1wge h ASP 45 CO -0.26 -0.04 -0.35 -0.07 -1.72 0.00 0.00 179.24 176.80 1wge h LEU 46 N 0.06 -1.14 -2.29 1.55 3.38 -1.29 0.33 115.31 115.91 1wge h LEU 46 Ca 0.13 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1wge h LEU 46 Cb 0.18 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wge h LEU 46 CO -0.24 -0.35 0.13 -0.33 0.09 0.00 0.00 178.44 177.75 1wge h GLU 47 N -0.32 0.00 -0.07 1.13 5.08 -1.13 0.16 114.58 119.43 1wge h GLU 47 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wge h GLU 47 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wge h GLU 47 CO -0.49 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.61 1wge n ASN 48 N -3.85 0.07 -1.34 1.42 3.02 0.11 -4.83 115.26 109.86 1wge n ASN 48 Ca -0.00 -1.90 -0.09 0.00 -0.03 0.00 0.00 54.58 52.57 1wge n ASN 48 Cb 0.24 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.42 0.21 0.03 7.41 0.00 0.56 -4.98 105.19 108.83 1wge n GLY 49 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.56 0.00 -5.81 1.61 4.39 -1.43 -3.49 114.58 109.29 1wge h GLU 50 Ca -0.21 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.07 1wge h GLU 50 Cb 1.14 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.87 1wge h GLU 50 CO 0.22 0.00 -0.69 -0.25 -1.16 0.00 0.00 179.01 177.13 1wge n ASP 51 N -3.30 -5.84 -3.74 1.42 9.92 -1.26 -4.99 116.55 108.76 1wge n ASP 51 Ca -0.02 -0.58 -0.16 0.00 -0.53 0.00 0.00 54.79 53.50 1wge n ASP 51 Cb 0.08 -4.63 -0.17 0.00 -0.64 0.00 0.00 41.12 35.76 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wge s VAL 52 N -3.28 -0.08 -0.24 2.53 1.01 -1.26 -2.81 120.40 116.27 1wge s VAL 52 Ca 0.58 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 1wge s VAL 52 Cb -0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1wge s VAL 52 CO 0.71 0.12 0.04 0.00 0.00 0.00 0.00 175.10 175.97 1wge s ALA 53 N 1.43 3.07 -0.06 5.51 0.00 -1.18 -4.84 121.76 125.70 1wge s ALA 53 Ca -0.05 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1wge s ALA 53 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1wge s ALA 53 CO -0.03 -0.44 0.17 0.99 0.00 0.00 0.00 175.76 176.45 1wge s THR 54 N 1.52 5.46 -0.15 0.00 2.01 -1.24 -3.25 115.64 119.99 1wge s THR 54 Ca 0.06 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 1wge s THR 54 Cb -0.15 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1wge s THR 54 CO 0.02 0.47 0.25 0.00 -0.69 0.00 0.00 174.62 174.67 1wge n PRO 56 N 3.18 0.49 0.01 0.00 -0.04 -1.26 -0.24 135.00 137.14 1wge n PRO 56 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1wge n PRO 56 Cb 0.52 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.63 0.31 0.05 3.54 2.88 -1.26 -4.87 113.62 113.63 1wge n SER 57 Ca 0.03 0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1wge n SER 57 Cb 0.01 -0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.47 -2.74 -4.76 0.00 7.64 0.66 -4.90 113.62 107.05 1wge n SER 59 Ca -0.02 0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1wge n SER 59 Cb 0.56 -1.91 0.03 0.00 -1.01 0.00 0.00 64.21 61.88 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 -1.86 3.90 -0.16 -3.43 1.43 -1.26 -4.30 118.68 113.00 1wge s LEU 60 Ca 0.00 2.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.79 1wge s LEU 60 Cb 0.00 -4.25 0.02 0.00 0.03 0.00 0.00 46.19 41.99 1wge s LEU 60 CO 0.00 -1.40 -0.20 0.27 0.23 0.00 0.00 176.35 175.25 1wge s ILE 61 N -1.35 1.97 0.14 -0.59 -4.36 -1.24 -2.70 121.20 113.08 1wge s ILE 61 Ca 0.69 -0.91 0.11 0.00 -0.26 0.00 0.00 60.65 60.29 1wge s ILE 61 Cb -0.38 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1wge s ILE 61 CO 0.45 0.53 -0.27 0.27 0.24 0.00 0.00 174.94 176.17 1wge s ILE 62 N 1.09 2.27 -0.28 8.37 -4.36 -1.20 -2.57 121.20 124.52 1wge s ILE 62 Ca -0.01 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.30 1wge s ILE 62 Cb -0.14 -2.01 0.01 0.00 1.25 0.00 0.00 42.46 41.57 1wge s ILE 62 CO -0.07 0.06 1.02 -0.75 0.24 0.00 0.00 174.94 175.43 1wge s LYS 63 N -2.15 4.13 -0.56 0.37 2.36 -0.94 -3.11 119.74 119.83 1wge s LYS 63 Ca 0.15 1.11 -0.21 0.00 -2.55 0.00 0.00 55.97 54.47 1wge s LYS 63 Cb -0.10 -3.70 0.06 0.00 -1.05 0.00 0.00 37.83 33.04 1wge s LYS 63 CO 0.07 -0.77 0.81 0.08 1.55 0.00 0.00 175.35 177.09 1wge s VAL 64 N 3.39 4.59 -0.74 4.02 1.01 -1.12 -0.34 120.40 131.20 1wge s VAL 64 Ca 0.43 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1wge s VAL 64 Cb -0.13 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 31.79 1wge s VAL 64 CO 0.11 -1.08 1.35 -0.63 0.00 0.00 0.00 175.10 174.85 1wge s ILE 65 N 3.38 3.69 0.20 2.22 -1.09 0.10 -4.75 121.20 124.96 1wge s ILE 65 Ca 0.21 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.98 1wge s ILE 65 Cb -0.17 -4.83 -0.05 0.00 -1.58 0.00 0.00 42.46 35.83 1wge s ILE 65 CO 0.13 -1.77 0.02 -0.72 -1.23 0.00 0.00 174.94 171.37 1wge s TYR 66 N 6.03 1.36 -0.61 3.97 -0.85 -1.26 -1.65 117.35 124.34 1wge s TYR 66 Ca 0.39 -1.03 -0.27 0.00 -0.52 0.00 0.00 57.07 55.63 1wge s TYR 66 Cb -0.08 -0.78 -0.00 0.00 0.38 0.00 0.00 41.96 41.47 1wge s TYR 66 CO 0.14 -0.20 1.67 -0.51 -1.52 0.00 0.00 175.55 175.13 1wge s ASP 67 N -3.23 5.63 0.14 -0.18 1.01 -1.26 -4.88 116.67 113.89 1wge s ASP 67 Ca 0.28 0.23 -0.28 0.00 0.71 0.00 0.00 52.55 53.49 1wge s ASP 67 Cb 0.06 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1wge s ASP 67 CO 0.07 -2.12 1.59 0.11 0.21 0.00 0.00 175.17 175.03 1wge h LYS 68 N 13.20 -0.44 -0.81 8.23 1.79 -1.98 -0.88 116.57 135.67 1wge h LYS 68 Ca -0.27 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.36 1wge h LYS 68 Cb 1.13 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 31.79 1wge h LYS 68 CO 1.21 -0.29 0.42 0.22 -1.08 0.00 0.00 179.45 179.93 1wge h ASP 69 N -0.45 0.52 -0.65 0.86 3.58 -1.97 0.35 116.42 118.65 1wge h ASP 69 Ca 0.09 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.71 1wge h ASP 69 Cb 0.61 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.58 1wge h ASP 69 CO -0.41 0.25 0.30 1.56 -2.88 0.00 0.00 179.24 178.06 1wge h GLN 70 N 0.63 0.51 0.02 0.28 1.08 -1.56 0.68 115.11 116.76 1wge h GLN 70 Ca 0.43 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1wge h GLN 70 Cb 0.55 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1wge h GLN 70 CO -0.33 0.34 -0.01 0.74 -0.95 0.00 0.00 178.83 178.62 1wge h PHE 71 N 0.53 -0.02 0.68 2.96 -1.00 -0.34 -3.37 116.94 116.38 1wge h PHE 71 Ca 0.32 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.07 1wge h PHE 71 Cb 0.34 0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 1wge h PHE 71 CO -0.13 0.72 -0.42 0.52 -1.61 0.00 0.00 178.31 177.39 1wge h MET 72 N -0.81 -0.99 -4.91 1.51 2.86 -0.16 -3.44 114.93 108.99 1wge h MET 72 Ca -0.00 0.07 -0.48 0.00 -2.06 0.00 0.00 59.70 57.23 1wge h MET 72 Cb 0.75 0.22 0.16 0.00 0.06 0.00 0.00 31.60 32.79 1wge h MET 72 CO 0.00 -0.66 -1.10 0.00 1.06 0.00 0.00 176.91 176.21 1wge n GLY 74 N 2.27 -3.17 0.00 0.00 0.00 -1.26 -4.94 105.19 98.08 1wge n GLY 74 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1wge n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wge n GLU 75 N -0.08 1.11 -4.20 1.61 -0.58 -1.26 -5.00 120.64 112.24 1wge n GLU 75 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 1wge n GLU 75 Cb 0.00 -0.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 1wge n GLU 75 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wge n THR 76 N -1.46 -0.96 -3.75 2.62 -2.24 -1.26 -4.93 114.28 102.30 1wge n THR 76 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1wge n THR 76 Cb 0.08 -1.62 -0.16 0.00 -2.10 0.00 0.00 70.33 66.53 1wge n THR 76 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wge s VAL 77 N -3.25 -0.07 -0.31 2.28 1.01 -1.26 -5.12 120.40 113.67 1wge s VAL 77 Ca 0.74 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1wge s VAL 77 Cb -0.41 -0.11 0.06 0.00 0.00 0.00 0.00 36.38 35.92 1wge s VAL 77 CO 0.91 0.11 0.03 -0.55 0.00 0.00 0.00 175.10 175.59 1wge s SER 78 N 1.31 4.95 0.00 3.32 0.15 -1.26 -5.05 113.70 117.12 1wge s SER 78 Ca -0.06 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.23 1wge s SER 78 Cb -0.13 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 1wge s SER 78 CO -0.03 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1wge n GLY 79 N 4.62 2.57 3.56 9.45 0.00 -1.26 -5.10 105.19 119.04 1wge n GLY 79 Ca -0.12 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.29 2.78 -1.13 1.61 0.04 -1.26 -4.92 135.00 130.84 1wge s PRO 80 Ca 0.00 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1wge s PRO 80 Cb 0.00 -4.34 0.22 0.00 0.04 0.00 0.00 34.50 30.42 1wge s PRO 80 CO 0.00 -2.54 1.23 -1.54 0.04 0.00 0.00 177.00 174.19 1wge s SER 81 N 7.57 7.16 0.00 6.66 1.04 -1.26 -4.51 113.70 130.36 1wge s SER 81 Ca 0.69 -3.22 0.00 0.00 0.48 0.00 0.00 55.95 53.89 1wge s SER 81 Cb -0.14 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1wge s SER 81 CO 0.23 -0.53 0.00 -1.54 0.98 0.00 0.00 173.24 172.38 1wge n SER 82 N 4.17 2.36 0.00 7.02 3.41 -1.26 -5.19 113.62 124.13 1wge n SER 82 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1wge n SER 82 Cb 0.42 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49