#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 6.42 -0.09 1.61 0.15 -1.26 -4.91 113.70 115.62 1wge s SER 2 Ca 0.00 -0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.29 1wge s SER 2 Cb 0.00 -2.41 -0.27 0.00 -1.71 0.00 0.00 66.02 61.62 1wge s SER 2 CO 0.00 -1.02 0.87 -1.28 1.20 0.00 0.00 173.24 173.01 1wge h SER 3 N 9.08 0.20 0.00 5.45 0.87 -2.10 -3.49 113.55 123.56 1wge h SER 3 Ca -0.25 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.38 1wge h SER 3 Cb 1.08 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1wge h SER 3 CO 1.01 1.11 0.00 0.61 -0.53 0.00 0.00 176.83 179.03 1wge n GLY 4 N 1.49 1.73 3.75 5.77 0.00 -1.26 -4.91 105.19 111.77 1wge n GLY 4 Ca -0.11 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1wge n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wge n SER 5 N 5.81 3.88 -4.04 1.61 3.41 -1.26 -4.98 113.62 118.05 1wge n SER 5 Ca 0.00 1.16 -0.32 0.00 -0.26 0.00 0.00 58.87 59.45 1wge n SER 5 Cb 0.00 -1.60 -0.14 0.00 -0.26 0.00 0.00 64.21 62.21 1wge n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wge s SER 6 N 0.38 4.88 0.00 4.04 0.15 -1.26 -5.03 113.70 116.85 1wge s SER 6 Ca 0.62 -2.21 0.00 0.00 0.70 0.00 0.00 55.95 55.05 1wge s SER 6 Cb -0.49 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1wge s SER 6 CO 0.52 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1wge n GLY 7 N 4.23 2.47 2.66 9.45 0.00 -1.26 -5.06 105.19 117.68 1wge n GLY 7 Ca 0.03 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 1wge n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wge s MET 8 N -3.08 -0.04 -0.55 1.61 -2.45 -1.26 -5.10 119.30 108.42 1wge s MET 8 Ca 0.00 0.27 -0.27 0.00 -1.25 0.00 0.00 55.69 54.44 1wge s MET 8 Cb 0.00 -0.82 -0.02 0.00 1.25 0.00 0.00 34.83 35.25 1wge s MET 8 CO 0.00 -0.41 1.80 0.00 1.05 0.00 0.00 175.02 177.47 1wge s ALA 9 N 2.16 2.37 -0.31 4.11 0.00 -1.26 -4.94 121.76 123.89 1wge s ALA 9 Ca 0.04 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1wge s ALA 9 Cb -0.13 -4.23 0.09 0.00 0.00 0.00 0.00 23.12 18.85 1wge s ALA 9 CO -0.04 -3.56 0.04 0.54 0.00 0.00 0.00 175.76 172.73 1wge s VAL 10 N 8.36 1.71 0.31 0.00 0.11 -1.26 -5.12 120.40 124.52 1wge s VAL 10 Ca 0.68 -1.82 0.07 0.00 -2.93 0.00 0.00 61.98 57.98 1wge s VAL 10 Cb -0.14 -2.19 -0.02 0.00 -1.53 0.00 0.00 36.38 32.50 1wge s VAL 10 CO 0.24 -0.50 0.39 -0.36 -3.33 0.00 0.00 175.10 171.53 1wge s PHE 11 N 1.22 3.12 -0.17 1.54 0.40 -1.26 -4.70 117.98 118.13 1wge s PHE 11 Ca 0.07 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.05 1wge s PHE 11 Cb -0.18 -1.83 -0.22 0.00 0.51 0.00 0.00 43.02 41.30 1wge s PHE 11 CO -0.13 0.16 0.28 1.25 0.70 0.00 0.00 175.22 177.48 1wge h HIS 12 N 1.07 0.21 -1.42 0.36 -0.00 -1.92 -3.50 115.15 109.96 1wge h HIS 12 Ca -0.47 -0.15 0.12 0.00 -0.00 0.00 0.00 60.37 59.87 1wge h HIS 12 Cb 1.25 -0.01 -0.26 0.00 -0.00 0.00 0.00 27.41 28.39 1wge h HIS 12 CO 0.46 1.62 0.64 -0.51 -0.00 0.00 0.00 177.93 180.15 1wge s ASP 13 N -6.95 -0.29 -0.53 3.26 1.01 -1.26 -5.09 116.67 106.82 1wge s ASP 13 Ca -0.26 0.41 -0.22 0.00 0.71 0.00 0.00 52.55 53.19 1wge s ASP 13 Cb 0.06 0.36 0.05 0.00 1.01 0.00 0.00 42.92 44.40 1wge s ASP 13 CO 0.67 -0.20 0.82 -1.61 0.21 0.00 0.00 175.17 175.05 1wge s GLU 14 N -0.64 3.25 -0.02 8.23 2.02 -1.26 -2.91 118.70 127.37 1wge s GLU 14 Ca 0.02 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1wge s GLU 14 Cb -0.02 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 1wge s GLU 14 CO -0.04 -1.38 -0.03 0.08 0.02 0.00 0.00 175.26 173.92 1wge s VAL 15 N 3.42 3.98 0.15 2.63 1.01 0.49 -4.90 120.40 127.17 1wge s VAL 15 Ca 0.24 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1wge s VAL 15 Cb -0.15 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1wge s VAL 15 CO 0.16 0.43 0.86 -1.61 0.00 0.00 0.00 175.10 174.95 1wge s GLU 16 N -1.35 4.66 0.47 2.72 2.02 -1.26 -0.19 118.70 125.76 1wge s GLU 16 Ca 0.17 1.30 0.28 0.00 0.02 0.00 0.00 54.97 56.74 1wge s GLU 16 Cb -0.11 -3.31 1.34 0.00 0.10 0.00 0.00 34.13 32.14 1wge s GLU 16 CO 0.07 0.41 1.78 0.97 0.02 0.00 0.00 175.26 178.52 1wge h ILE 17 N 3.61 0.44 -1.19 -1.63 6.09 -1.54 0.25 117.51 123.54 1wge h ILE 17 Ca -0.45 -0.06 0.34 0.00 -1.37 0.00 0.00 64.86 63.32 1wge h ILE 17 Cb 1.21 0.24 -0.06 0.00 0.47 0.00 0.00 36.82 38.68 1wge h ILE 17 CO 0.69 0.03 0.85 -0.33 -3.07 0.00 0.00 178.15 176.32 1wge h GLU 18 N 0.19 0.04 0.04 2.19 4.39 -1.92 0.70 114.58 120.21 1wge h GLU 18 Ca 0.59 -0.00 -0.25 0.00 0.34 0.00 0.00 59.36 60.04 1wge h GLU 18 Cb 1.93 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.55 1wge h GLU 18 CO -0.17 0.03 -1.28 0.22 -1.16 0.00 0.00 179.01 176.65 1wge h ASP 19 N 0.05 0.12 -3.26 1.42 1.82 -0.88 -3.47 116.42 112.22 1wge h ASP 19 Ca 0.58 -0.15 -0.48 0.00 -0.39 0.00 0.00 57.03 56.59 1wge h ASP 19 Cb 2.22 -0.04 0.22 0.00 0.68 0.00 0.00 39.33 42.41 1wge h ASP 19 CO -0.05 1.12 -0.32 0.49 -1.61 0.00 0.00 179.24 178.88 1wge n PHE 20 N -3.32 -0.88 -3.91 0.28 3.01 0.24 -4.98 117.46 107.89 1wge n PHE 20 Ca -0.08 0.10 -0.33 0.00 1.01 0.00 0.00 57.45 58.16 1wge n PHE 20 Cb 0.99 -1.75 -0.13 0.00 -0.01 0.00 0.00 39.48 38.58 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 -4.09 1.76 0.19 -1.08 0.74 -0.61 -4.85 119.66 111.72 1wge s GLN 21 Ca 0.63 -1.96 -0.30 0.00 0.05 0.00 0.00 55.36 53.78 1wge s GLN 21 Cb -0.21 -3.37 -0.08 0.00 1.10 0.00 0.00 33.01 30.45 1wge s GLN 21 CO 0.64 -1.01 1.14 -0.47 -0.55 0.00 0.00 175.29 175.04 1wge s TYR 22 N 0.82 3.51 -0.31 1.67 5.04 -1.26 -2.03 117.35 124.79 1wge s TYR 22 Ca 0.11 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.29 1wge s TYR 22 Cb -0.21 -3.35 0.09 0.00 0.35 0.00 0.00 41.96 38.85 1wge s TYR 22 CO -0.06 -0.87 0.04 0.34 -1.34 0.00 0.00 175.55 173.66 1wge s ASP 23 N -0.07 4.46 0.47 4.32 2.15 -1.00 -4.97 116.67 122.02 1wge s ASP 23 Ca 0.50 -1.86 0.26 0.00 0.43 0.00 0.00 52.55 51.88 1wge s ASP 23 Cb -0.31 -1.38 1.31 0.00 -0.30 0.00 0.00 42.92 42.23 1wge s ASP 23 CO 0.36 -0.36 1.82 1.05 -0.17 0.00 0.00 175.17 177.87 1wge h GLU 24 N 7.78 0.20 -0.71 4.34 4.11 -1.95 1.08 114.58 129.43 1wge h GLU 24 Ca -0.09 -0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.47 1wge h GLU 24 Cb 1.03 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.10 1wge h GLU 24 CO 0.49 0.13 -0.20 -0.44 0.07 0.00 0.00 179.01 179.06 1wge h ASP 25 N 0.20 -0.72 0.00 3.06 3.32 -1.96 -2.80 116.42 117.51 1wge h ASP 25 Ca 0.53 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.79 1wge h ASP 25 Cb 1.71 0.46 -0.02 0.00 0.22 0.00 0.00 39.33 41.70 1wge h ASP 25 CO -0.14 -0.24 -0.27 -1.54 -1.72 0.00 0.00 179.24 175.33 1wge n SER 26 N -5.47 1.46 -3.93 6.45 3.41 -0.37 -5.00 113.62 110.16 1wge n SER 26 Ca 0.09 -2.75 -0.26 0.00 -0.26 0.00 0.00 58.87 55.68 1wge n SER 26 Cb 0.37 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.84 -0.85 -4.23 4.33 1.02 0.36 -4.82 120.64 115.61 1wge n GLU 27 Ca 0.11 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 1wge n GLU 27 Cb 0.69 -2.59 -0.16 0.00 -0.02 0.00 0.00 31.44 29.37 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 -4.04 0.59 0.70 2.62 2.01 -1.15 -1.45 115.64 114.92 1wge s THR 28 Ca 0.07 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1wge s THR 28 Cb -0.04 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1wge s THR 28 CO 0.77 0.22 1.09 -0.31 -0.69 0.00 0.00 174.62 175.71 1wge s TYR 29 N 0.64 3.34 0.06 4.92 1.51 -0.91 -2.39 117.35 124.53 1wge s TYR 29 Ca -0.09 1.07 -0.01 0.00 -1.01 0.00 0.00 57.07 57.03 1wge s TYR 29 Cb -0.12 -3.04 -0.04 0.00 -0.11 0.00 0.00 41.96 38.65 1wge s TYR 29 CO 0.00 -1.15 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.22 1wge s PHE 30 N -3.34 0.58 -0.24 2.71 0.08 -0.86 -2.76 117.98 114.16 1wge s PHE 30 Ca 0.58 -1.10 -0.23 0.00 0.12 0.00 0.00 56.93 56.30 1wge s PHE 30 Cb -0.11 -0.41 0.06 0.00 -0.57 0.00 0.00 43.02 42.00 1wge s PHE 30 CO 0.52 -0.40 0.66 -0.47 -0.10 0.00 0.00 175.22 175.43 1wge s TYR 31 N -3.94 -0.72 -0.34 0.36 5.04 -1.20 -1.57 117.35 114.99 1wge s TYR 31 Ca 0.10 1.74 -0.29 0.00 -2.44 0.00 0.00 57.07 56.18 1wge s TYR 31 Cb 0.08 0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.63 1wge s TYR 31 CO -0.08 -0.36 1.69 -1.25 -1.34 0.00 0.00 175.55 174.22 1wge s PRO 32 N 0.28 3.43 0.08 4.97 0.04 -1.26 0.41 135.00 142.94 1wge s PRO 32 Ca -0.00 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.12 1wge s PRO 32 Cb -0.04 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1wge s PRO 32 CO 0.01 -1.75 0.74 0.00 0.04 0.00 0.00 177.00 176.04 1wge n PRO 34 N 2.37 0.49 -0.07 0.00 -0.04 -1.26 -2.66 135.00 133.83 1wge n PRO 34 Ca -0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 1wge n PRO 34 Cb 0.50 -1.06 -0.06 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 2.79 -1.08 3.77 0.00 0.00 -1.09 -5.07 105.19 104.51 1wge n GLY 36 Ca -0.24 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.40 6.06 -0.03 1.61 1.11 -1.26 -4.58 116.67 118.17 1wge s ASP 37 Ca 0.00 2.46 -0.25 0.00 0.18 0.00 0.00 52.55 54.94 1wge s ASP 37 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1wge s ASP 37 CO 0.00 -1.00 0.78 0.20 1.18 0.00 0.00 175.17 176.33 1wge s ASN 38 N -1.14 7.12 1.09 0.27 0.01 -1.26 -3.54 114.94 117.49 1wge s ASN 38 Ca 0.63 1.35 -0.20 0.00 -0.71 0.00 0.00 52.86 53.92 1wge s ASN 38 Cb -0.33 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 38.92 1wge s ASN 38 CO 0.40 -0.13 -0.30 0.49 -1.51 0.00 0.00 177.10 176.05 1wge n PHE 39 N 3.66 -1.43 -3.65 2.20 3.72 0.16 -4.68 117.46 117.45 1wge n PHE 39 Ca 0.00 0.24 -0.06 0.00 -0.05 0.00 0.00 57.45 57.59 1wge n PHE 39 Cb 0.51 -1.53 -0.07 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 -2.19 -1.83 -0.15 4.37 0.00 -0.81 -3.21 121.76 117.94 1wge s ALA 40 Ca 0.52 2.29 -0.04 0.00 0.00 0.00 0.00 51.96 54.73 1wge s ALA 40 Cb -0.08 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1wge s ALA 40 CO 0.66 -0.55 0.07 -1.50 0.00 0.00 0.00 175.76 174.45 1wge s ILE 41 N 2.03 0.05 0.23 0.00 2.07 -1.11 -3.39 121.20 121.07 1wge s ILE 41 Ca -0.08 -0.13 -0.32 0.00 -1.41 0.00 0.00 60.65 58.71 1wge s ILE 41 Cb -0.08 -0.59 -0.12 0.00 0.13 0.00 0.00 42.46 41.80 1wge s ILE 41 CO -0.19 -0.17 1.65 0.35 -1.91 0.00 0.00 174.94 174.68 1wge n THR 42 N 5.23 0.36 -0.34 4.00 -2.24 -1.26 -2.13 114.28 117.90 1wge n THR 42 Ca -0.07 -0.09 0.26 0.00 -2.27 0.00 0.00 64.05 61.88 1wge n THR 42 Cb 0.49 -1.90 0.50 0.00 -2.10 0.00 0.00 70.33 67.32 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 5.93 0.25 -0.31 -0.78 3.11 -1.57 0.36 116.57 123.57 1wge h LYS 43 Ca -0.45 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.42 1wge h LYS 43 Cb 1.22 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.35 1wge h LYS 43 CO 0.89 0.17 0.08 1.49 -2.81 0.00 0.00 179.45 179.27 1wge h GLU 44 N 0.26 0.19 -0.84 1.90 4.81 -1.89 -1.89 114.58 117.13 1wge h GLU 44 Ca 0.76 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 60.11 1wge h GLU 44 Cb 1.82 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 31.06 1wge h GLU 44 CO -0.61 0.13 0.43 -0.44 -0.73 0.00 0.00 179.01 177.78 1wge h ASP 45 N 0.20 0.51 0.25 1.04 3.32 -0.63 -0.48 116.42 120.63 1wge h ASP 45 Ca 0.14 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1wge h ASP 45 Cb 0.14 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1wge h ASP 45 CO -0.17 0.22 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.39 1wge h LEU 46 N 0.62 -0.28 -1.23 1.55 3.38 -1.20 -0.71 115.31 117.44 1wge h LEU 46 Ca 0.45 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.46 1wge h LEU 46 Cb 0.63 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 1wge h LEU 46 CO -0.36 -0.08 0.58 -0.33 0.09 0.00 0.00 178.44 178.34 1wge h GLU 47 N -0.47 0.76 0.00 1.13 5.08 -0.68 0.42 114.58 120.82 1wge h GLU 47 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wge h GLU 47 Cb 0.35 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wge h GLU 47 CO 0.06 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.66 1wge n ASN 48 N -4.56 0.00 -0.09 1.42 3.02 -0.25 -4.83 115.26 109.97 1wge n ASN 48 Ca 0.17 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1wge n ASN 48 Cb 0.41 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.36 1.20 0.03 7.41 0.00 0.15 -5.04 105.19 108.57 1wge n GLY 49 Ca 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.99 1.61 4.39 -1.12 -3.49 114.58 110.99 1wge h GLU 50 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 1wge h GLU 50 Cb 0.35 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.11 1wge h GLU 50 CO 0.00 0.00 -0.59 -0.25 -1.16 0.00 0.00 179.01 177.01 1wge n ASP 51 N -3.32 -5.86 -3.73 1.42 9.92 -1.26 -4.96 116.55 108.75 1wge n ASP 51 Ca -0.01 -0.42 -0.14 0.00 -0.53 0.00 0.00 54.79 53.69 1wge n ASP 51 Cb 0.02 -4.53 -0.15 0.00 -0.64 0.00 0.00 41.12 35.83 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 -3.24 -0.09 -0.20 2.53 1.01 -1.26 -2.05 120.40 117.10 1wge s VAL 52 Ca 0.46 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1wge s VAL 52 Cb -0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1wge s VAL 52 CO 0.57 0.09 -0.01 0.00 0.00 0.00 0.00 175.10 175.75 1wge s ALA 53 N 1.40 2.99 0.10 5.51 0.00 -1.18 -4.80 121.76 125.78 1wge s ALA 53 Ca -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1wge s ALA 53 Cb -0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 1wge s ALA 53 CO -0.06 -0.17 0.30 0.99 0.00 0.00 0.00 175.76 176.81 1wge s THR 54 N 1.05 5.27 -0.17 0.00 2.01 -1.22 -3.36 115.64 119.22 1wge s THR 54 Ca 0.02 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 1wge s THR 54 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1wge s THR 54 CO 0.01 0.10 0.01 0.00 -0.69 0.00 0.00 174.62 174.05 1wge n PRO 56 N 3.49 0.49 0.00 0.00 -0.04 -1.26 -0.32 135.00 137.36 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 0.10 0.06 3.54 2.88 -1.26 -4.86 113.62 113.41 1wge n SER 57 Ca 0.04 0.01 0.09 0.00 -1.33 0.00 0.00 58.87 57.68 1wge n SER 57 Cb 0.02 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 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 -2.57 -2.60 -4.73 0.00 3.41 0.57 -4.93 113.62 102.77 1wge n SER 59 Ca -0.03 0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1wge n SER 59 Cb 0.61 -1.61 0.09 0.00 -0.26 0.00 0.00 64.21 63.04 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 -1.43 3.31 -0.10 1.04 1.43 -1.26 -4.38 118.68 117.29 1wge s LEU 60 Ca 0.00 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1wge s LEU 60 Cb 0.00 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.66 1wge s LEU 60 CO 0.00 -2.18 -0.09 0.27 0.23 0.00 0.00 176.35 174.58 1wge s ILE 61 N -2.07 1.06 0.20 -0.59 -4.36 -1.25 -2.79 121.20 111.41 1wge s ILE 61 Ca 0.73 -0.34 0.11 0.00 -0.26 0.00 0.00 60.65 60.88 1wge s ILE 61 Cb -0.27 -1.05 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 1wge s ILE 61 CO 0.45 0.37 -0.18 0.27 0.24 0.00 0.00 174.94 176.09 1wge s ILE 62 N 1.44 2.69 -0.34 8.37 -4.36 -1.21 -2.81 121.20 124.97 1wge s ILE 62 Ca 0.00 -1.95 -0.25 0.00 -0.26 0.00 0.00 60.65 58.19 1wge s ILE 62 Cb -0.13 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.26 1wge s ILE 62 CO -0.05 -0.16 0.87 -0.75 0.24 0.00 0.00 174.94 175.09 1wge s LYS 63 N -2.86 3.90 -0.49 0.37 2.36 -1.15 -3.13 119.74 118.75 1wge s LYS 63 Ca 0.24 0.60 -0.23 0.00 -2.55 0.00 0.00 55.97 54.03 1wge s LYS 63 Cb -0.08 -3.77 0.04 0.00 -1.05 0.00 0.00 37.83 32.97 1wge s LYS 63 CO 0.13 -0.82 0.82 0.08 1.55 0.00 0.00 175.35 177.10 1wge s VAL 64 N 3.24 4.59 -0.66 4.02 1.01 -0.87 -0.38 120.40 131.35 1wge s VAL 64 Ca 0.36 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 1wge s VAL 64 Cb -0.13 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1wge s VAL 64 CO 0.16 -0.86 1.08 -0.63 0.00 0.00 0.00 175.10 174.85 1wge s ILE 65 N 3.43 4.11 0.11 2.22 -1.09 0.73 -4.78 121.20 125.93 1wge s ILE 65 Ca 0.28 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1wge s ILE 65 Cb -0.13 -4.74 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 1wge s ILE 65 CO 0.20 -1.51 -0.08 -0.72 -1.23 0.00 0.00 174.94 171.60 1wge s TYR 66 N 4.67 1.03 -0.66 3.97 -0.85 -1.26 -1.42 117.35 122.83 1wge s TYR 66 Ca 0.30 -0.81 -0.26 0.00 -0.52 0.00 0.00 57.07 55.77 1wge s TYR 66 Cb -0.12 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.64 1wge s TYR 66 CO 0.15 -0.05 1.80 0.34 -1.52 0.00 0.00 175.55 176.28 1wge s ASP 67 N -2.96 5.37 0.41 -0.18 2.15 -1.26 -4.83 116.67 115.36 1wge s ASP 67 Ca 0.12 0.13 0.19 0.00 0.43 0.00 0.00 52.55 53.42 1wge s ASP 67 Cb 0.03 -2.54 1.13 0.00 -0.30 0.00 0.00 42.92 41.24 1wge s ASP 67 CO -0.02 -2.35 1.77 0.11 -0.17 0.00 0.00 175.17 174.51 1wge h LYS 68 N 14.01 0.36 -0.70 4.34 1.79 -1.99 0.27 116.57 134.65 1wge h LYS 68 Ca -0.22 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1wge h LYS 68 Cb 1.13 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1wge h LYS 68 CO 1.23 0.24 0.35 -0.44 -1.08 0.00 0.00 179.45 179.74 1wge h ASP 69 N 0.37 0.91 0.21 0.86 5.19 -1.98 0.29 116.42 122.27 1wge h ASP 69 Ca 0.59 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1wge h ASP 69 Cb 1.55 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 1wge h ASP 69 CO -0.28 0.78 -0.17 1.56 -3.12 0.00 0.00 179.24 178.00 1wge h GLN 70 N 0.97 -0.37 -0.02 3.56 4.20 -0.82 0.19 115.11 122.82 1wge h GLN 70 Ca 0.24 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1wge h GLN 70 Cb 0.10 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1wge h GLN 70 CO -0.03 -0.25 -0.00 0.74 -0.67 0.00 0.00 178.83 178.62 1wge h PHE 71 N -0.39 0.04 0.01 2.96 -1.00 -1.37 -3.33 116.94 113.85 1wge h PHE 71 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1wge h PHE 71 Cb 0.35 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1wge h PHE 71 CO -0.12 0.38 -0.01 0.52 -1.61 0.00 0.00 178.31 177.47 1wge h MET 72 N -0.32 -0.02 -5.36 1.51 2.86 -0.36 -3.41 114.93 109.83 1wge h MET 72 Ca 0.00 0.00 -0.73 0.00 -2.06 0.00 0.00 59.70 56.92 1wge h MET 72 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1wge h MET 72 CO 0.00 -0.01 0.95 0.00 1.06 0.00 0.00 176.91 178.91 1wge n GLY 74 N 5.42 0.05 0.11 0.00 0.00 -1.26 -4.92 105.19 104.59 1wge n GLY 74 Ca 0.40 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.75 1wge n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wge h GLU 75 N 0.00 0.00 -5.43 1.61 4.57 -1.89 -3.47 114.58 109.97 1wge h GLU 75 Ca 0.00 0.00 -0.75 0.00 -1.18 0.00 0.00 59.36 57.43 1wge h GLU 75 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1wge h GLU 75 CO 0.00 0.00 0.91 0.25 -1.18 0.00 0.00 179.01 178.99 1wge n THR 76 N -2.58 0.00 -0.98 0.32 -2.24 -1.26 -4.79 114.28 102.74 1wge n THR 76 Ca 0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 1wge n THR 76 Cb 0.52 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.35 1wge n THR 76 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wge n VAL 77 N 4.74 0.00 -3.84 2.28 3.14 -1.26 -4.93 118.33 118.46 1wge n VAL 77 Ca 0.39 -0.48 -0.36 0.00 -2.96 0.00 0.00 64.34 60.93 1wge n VAL 77 Cb -0.05 -0.05 -0.13 0.00 -1.06 0.00 0.00 33.84 32.55 1wge n VAL 77 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1wge s SER 78 N -1.08 4.80 0.00 6.55 0.01 -1.26 -4.99 113.70 117.73 1wge s SER 78 Ca 0.41 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1wge s SER 78 Cb -0.18 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1wge s SER 78 CO 0.82 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1wge n GLY 79 N 4.80 -0.10 0.00 3.44 0.00 -1.26 -4.71 105.19 107.36 1wge n GLY 79 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.85 0.48 -2.40 1.61 -0.04 -1.26 -4.81 135.00 126.73 1wge n PRO 80 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1wge n PRO 80 Cb 0.00 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1wge n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wge n SER 81 N -0.73 -2.33 -4.66 3.54 2.88 -1.26 -4.98 113.62 106.08 1wge n SER 81 Ca 0.05 -0.21 -0.39 0.00 -1.33 0.00 0.00 58.87 56.99 1wge n SER 81 Cb 0.02 -2.06 0.03 0.00 -0.75 0.00 0.00 64.21 61.46 1wge n SER 81 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wge n SER 82 N -1.79 1.61 0.00 -3.46 3.41 -1.26 -5.19 113.62 106.94 1wge n SER 82 Ca -0.08 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1wge n SER 82 Cb 0.55 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49