#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 -2.99 0.00 1.61 7.64 -1.26 -4.87 113.62 113.75 1wge n SER 2 Ca 0.00 -0.83 -0.02 0.00 1.01 0.00 0.00 58.87 59.02 1wge n SER 2 Cb 0.00 -3.77 -0.01 0.00 -1.01 0.00 0.00 64.21 59.43 1wge n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wge n SER 3 N -2.91 0.52 0.00 6.43 3.41 -1.26 -5.03 113.62 114.77 1wge n SER 3 Ca -0.11 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1wge n SER 3 Cb 0.59 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 2.98 1.76 3.47 5.00 0.00 -1.26 -4.62 105.19 112.52 1wge n GLY 4 Ca -0.04 0.45 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.61 2.59 -0.77 1.61 0.01 -1.26 -5.09 113.70 107.19 1wge s SER 5 Ca 0.00 -1.70 -0.25 0.00 1.31 0.00 0.00 55.95 55.32 1wge s SER 5 Cb 0.00 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.82 1wge s SER 5 CO 0.00 -0.97 1.20 -0.55 0.41 0.00 0.00 173.24 173.33 1wge s SER 6 N -3.57 6.24 -0.31 2.44 0.15 -1.26 -4.69 113.70 112.71 1wge s SER 6 Ca 0.26 -0.86 0.12 0.00 0.70 0.00 0.00 55.95 56.17 1wge s SER 6 Cb 0.02 -2.51 0.37 0.00 -1.71 0.00 0.00 66.02 62.19 1wge s SER 6 CO 0.17 -1.62 1.49 0.61 1.20 0.00 0.00 173.24 175.08 1wge n GLY 7 N 5.59 1.89 2.93 9.45 0.00 -1.26 -5.12 105.19 118.66 1wge n GLY 7 Ca 0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1wge n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wge s MET 8 N 0.12 0.69 -0.54 1.61 0.00 -1.26 -5.10 119.30 114.81 1wge s MET 8 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 55.69 55.64 1wge s MET 8 Cb 0.40 -0.69 0.14 0.00 0.00 0.00 0.00 34.83 34.68 1wge s MET 8 CO -0.12 0.02 0.30 0.00 0.00 0.00 0.00 175.02 175.22 1wge s ALA 9 N 0.44 3.36 -0.35 3.16 0.00 -1.26 -5.05 121.76 122.07 1wge s ALA 9 Ca -0.06 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 48.62 1wge s ALA 9 Cb -0.09 -2.25 0.09 0.00 0.00 0.00 0.00 23.12 20.87 1wge s ALA 9 CO -0.00 -2.04 0.08 0.54 0.00 0.00 0.00 175.76 174.34 1wge s VAL 10 N -0.28 2.81 0.35 0.00 0.11 -1.26 -5.10 120.40 117.03 1wge s VAL 10 Ca 0.17 -1.95 0.07 0.00 -2.93 0.00 0.00 61.98 57.34 1wge s VAL 10 Cb -0.25 -2.87 -0.01 0.00 -1.53 0.00 0.00 36.38 31.73 1wge s VAL 10 CO -0.01 -0.47 0.46 -0.36 -3.33 0.00 0.00 175.10 171.40 1wge s PHE 11 N 1.09 3.02 -0.21 1.54 0.40 -1.26 -4.62 117.98 117.94 1wge s PHE 11 Ca 0.04 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1wge s PHE 11 Cb -0.21 -2.05 -0.19 0.00 0.51 0.00 0.00 43.02 41.08 1wge s PHE 11 CO -0.05 -0.07 0.06 1.58 0.70 0.00 0.00 175.22 177.44 1wge n HIS 12 N -1.64 0.69 -3.60 0.36 -0.00 -1.03 -5.01 115.22 104.98 1wge n HIS 12 Ca 0.01 0.22 -0.07 0.00 -0.00 0.00 0.00 57.72 57.88 1wge n HIS 12 Cb 0.59 -1.08 -0.04 0.00 -0.00 0.00 0.00 29.99 29.45 1wge n HIS 12 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wge s ASP 13 N -6.99 -0.24 -0.51 0.26 1.01 -1.26 -5.09 116.67 103.84 1wge s ASP 13 Ca -0.30 0.23 -0.20 0.00 0.71 0.00 0.00 52.55 52.98 1wge s ASP 13 Cb 0.09 0.21 0.05 0.00 1.01 0.00 0.00 42.92 44.28 1wge s ASP 13 CO 0.62 -0.25 0.69 -1.61 0.21 0.00 0.00 175.17 174.83 1wge s GLU 14 N -1.33 3.17 -0.01 8.23 2.02 -1.26 -2.76 118.70 126.75 1wge s GLU 14 Ca 0.03 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.29 1wge s GLU 14 Cb -0.01 -4.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.10 1wge s GLU 14 CO -0.03 -1.27 -0.02 0.08 0.02 0.00 0.00 175.26 174.04 1wge s VAL 15 N 2.90 4.01 0.10 2.63 1.01 0.35 -4.90 120.40 126.50 1wge s VAL 15 Ca 0.18 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1wge s VAL 15 Cb -0.18 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 1wge s VAL 15 CO 0.14 0.42 0.81 -1.61 0.00 0.00 0.00 175.10 174.85 1wge s GLU 16 N -1.40 4.57 0.58 2.72 2.02 -1.26 -0.14 118.70 125.79 1wge s GLU 16 Ca 0.18 1.18 0.31 0.00 0.02 0.00 0.00 54.97 56.66 1wge s GLU 16 Cb -0.11 -3.33 1.35 0.00 0.10 0.00 0.00 34.13 32.14 1wge s GLU 16 CO 0.08 0.37 1.68 0.97 0.02 0.00 0.00 175.26 178.38 1wge h ILE 17 N 3.81 0.24 -0.91 -1.63 6.09 -1.63 0.28 117.51 123.75 1wge h ILE 17 Ca -0.45 0.00 0.21 0.00 -1.37 0.00 0.00 64.86 63.26 1wge h ILE 17 Cb 1.21 0.35 -0.07 0.00 0.47 0.00 0.00 36.82 38.78 1wge h ILE 17 CO 0.69 0.00 0.61 -0.33 -3.07 0.00 0.00 178.15 176.05 1wge h GLU 18 N 0.00 0.35 0.00 2.19 3.07 -1.91 0.24 114.58 118.52 1wge h GLU 18 Ca 0.42 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 59.07 1wge h GLU 18 Cb 2.10 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.90 1wge h GLU 18 CO -0.00 0.23 -1.03 0.22 -1.40 0.00 0.00 179.01 177.03 1wge h ASP 19 N 0.37 0.00 -4.12 1.42 3.58 -0.83 -3.46 116.42 113.37 1wge h ASP 19 Ca 0.48 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 57.38 1wge h ASP 19 Cb 1.25 0.00 0.17 0.00 1.72 0.00 0.00 39.33 42.47 1wge h ASP 19 CO -0.17 0.83 0.40 0.49 -2.88 0.00 0.00 179.24 177.91 1wge n PHE 20 N -3.22 1.54 -3.68 0.28 3.01 0.82 -4.96 117.46 111.25 1wge n PHE 20 Ca -0.03 0.41 -0.38 0.00 1.01 0.00 0.00 57.45 58.46 1wge n PHE 20 Cb 0.89 -2.18 -0.12 0.00 -0.01 0.00 0.00 39.48 38.07 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 -3.72 3.24 0.03 -1.08 2.00 -0.38 -4.82 119.66 114.94 1wge s GLN 21 Ca 0.78 -0.78 -0.23 0.00 -2.00 0.00 0.00 55.36 53.13 1wge s GLN 21 Cb -0.34 -3.52 -0.06 0.00 0.80 0.00 0.00 33.01 29.89 1wge s GLN 21 CO 0.46 -0.44 0.68 -0.47 -0.50 0.00 0.00 175.29 175.02 1wge s TYR 22 N 1.58 3.73 -0.32 1.67 5.04 -1.26 -0.59 117.35 127.20 1wge s TYR 22 Ca 0.04 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 1wge s TYR 22 Cb -0.17 -2.71 0.10 0.00 0.35 0.00 0.00 41.96 39.53 1wge s TYR 22 CO 0.05 0.34 0.05 0.34 -1.34 0.00 0.00 175.55 175.00 1wge s ASP 23 N -0.26 4.39 0.52 4.32 2.15 -1.09 -4.97 116.67 121.74 1wge s ASP 23 Ca 0.35 -1.85 0.30 0.00 0.43 0.00 0.00 52.55 51.77 1wge s ASP 23 Cb -0.20 -1.30 1.44 0.00 -0.30 0.00 0.00 42.92 42.56 1wge s ASP 23 CO 0.20 -0.38 1.89 1.05 -0.17 0.00 0.00 175.17 177.77 1wge h GLU 24 N 7.83 0.04 -0.92 4.34 4.11 -1.95 1.15 114.58 129.17 1wge h GLU 24 Ca -0.09 -0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.56 1wge h GLU 24 Cb 1.02 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.09 1wge h GLU 24 CO 0.49 0.03 -0.04 -0.44 0.07 0.00 0.00 179.01 179.12 1wge h ASP 25 N 0.04 -0.54 0.00 3.06 5.19 -1.97 -2.87 116.42 119.33 1wge h ASP 25 Ca 0.42 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 57.09 1wge h ASP 25 Cb 1.61 0.48 0.00 0.00 0.18 0.00 0.00 39.33 41.60 1wge h ASP 25 CO -0.02 -0.30 0.00 -0.24 -3.12 0.00 0.00 179.24 175.56 1wge n SER 26 N -5.48 0.65 -3.63 6.45 2.88 -0.61 -5.03 113.62 108.86 1wge n SER 26 Ca 0.19 -1.26 -0.22 0.00 -1.33 0.00 0.00 58.87 56.25 1wge n SER 26 Cb 0.62 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.12 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wge n GLU 27 N -0.13 -3.79 -4.10 -1.46 1.02 0.39 -4.88 120.64 107.68 1wge n GLU 27 Ca 0.00 0.63 -0.18 0.00 -0.02 0.00 0.00 57.16 57.59 1wge n GLU 27 Cb 0.31 -5.07 -0.16 0.00 -0.02 0.00 0.00 31.44 26.51 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 -3.58 0.41 0.73 2.62 2.01 -1.16 -2.17 115.64 114.50 1wge s THR 28 Ca 0.17 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1wge s THR 28 Cb -0.04 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1wge s THR 28 CO 0.81 0.18 1.08 -0.31 -0.69 0.00 0.00 174.62 175.69 1wge s TYR 29 N 0.69 3.08 0.06 4.92 1.51 -0.93 -2.67 117.35 124.00 1wge s TYR 29 Ca -0.08 1.22 -0.01 0.00 -1.01 0.00 0.00 57.07 57.19 1wge s TYR 29 Cb -0.11 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 1wge s TYR 29 CO -0.00 -1.40 -0.03 -0.06 -1.11 0.00 0.00 175.55 172.94 1wge s PHE 30 N -3.17 0.59 -0.23 2.71 0.08 0.24 -2.74 117.98 115.45 1wge s PHE 30 Ca 0.59 -1.06 -0.24 0.00 0.12 0.00 0.00 56.93 56.34 1wge s PHE 30 Cb -0.13 -0.41 0.07 0.00 -0.57 0.00 0.00 43.02 41.97 1wge s PHE 30 CO 0.54 -0.36 0.67 -0.47 -0.10 0.00 0.00 175.22 175.50 1wge s TYR 31 N -3.89 -0.73 -0.34 0.36 5.04 -1.19 -1.24 117.35 115.36 1wge s TYR 31 Ca 0.09 1.74 -0.28 0.00 -2.44 0.00 0.00 57.07 56.17 1wge s TYR 31 Cb 0.08 0.27 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 1wge s TYR 31 CO -0.09 -0.38 1.70 -1.25 -1.34 0.00 0.00 175.55 174.19 1wge s PRO 32 N 0.20 3.42 0.11 4.97 0.04 -1.26 0.66 135.00 143.13 1wge s PRO 32 Ca -0.01 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 1wge s PRO 32 Cb -0.04 -4.15 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 1wge s PRO 32 CO 0.02 -1.76 0.81 0.00 0.04 0.00 0.00 177.00 176.11 1wge n PRO 34 N 2.26 0.49 -0.04 0.00 -0.04 -1.26 -2.64 135.00 133.77 1wge n PRO 34 Ca -0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.37 1wge n PRO 34 Cb 0.49 -1.01 -0.04 0.00 -0.04 0.00 0.00 33.50 32.90 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 3.04 -1.13 3.75 0.00 0.00 -1.08 -5.08 105.19 104.69 1wge n GLY 36 Ca -0.16 0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.88 5.45 -0.05 1.61 1.11 -1.26 -4.55 116.67 117.10 1wge s ASP 37 Ca 0.00 2.56 -0.24 0.00 0.18 0.00 0.00 52.55 55.05 1wge s ASP 37 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1wge s ASP 37 CO 0.00 -1.43 0.71 0.20 1.18 0.00 0.00 175.17 175.83 1wge s ASN 38 N -1.22 7.02 1.08 0.27 0.01 -1.26 -3.40 114.94 117.44 1wge s ASN 38 Ca 0.71 1.23 -0.18 0.00 -0.71 0.00 0.00 52.86 53.90 1wge s ASN 38 Cb -0.35 -2.42 0.06 0.00 0.41 0.00 0.00 41.25 38.95 1wge s ASN 38 CO 0.41 -0.09 -0.08 0.49 -1.51 0.00 0.00 177.10 176.32 1wge n PHE 39 N 3.62 -1.52 -3.65 2.20 3.72 0.21 -4.69 117.46 117.36 1wge n PHE 39 Ca -0.02 0.19 -0.06 0.00 -0.05 0.00 0.00 57.45 57.52 1wge n PHE 39 Cb 0.51 -1.58 -0.06 0.00 -0.94 0.00 0.00 39.48 37.41 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 -2.24 -1.86 -0.13 4.37 0.00 -1.06 -3.14 121.76 117.71 1wge s ALA 40 Ca 0.54 2.32 -0.04 0.00 0.00 0.00 0.00 51.96 54.78 1wge s ALA 40 Cb -0.12 -1.50 0.05 0.00 0.00 0.00 0.00 23.12 21.56 1wge s ALA 40 CO 0.67 -0.54 0.10 -1.50 0.00 0.00 0.00 175.76 174.49 1wge s ILE 41 N 2.01 -0.13 0.17 0.00 2.07 -1.11 -3.65 121.20 120.57 1wge s ILE 41 Ca -0.09 0.05 -0.33 0.00 -1.41 0.00 0.00 60.65 58.88 1wge s ILE 41 Cb -0.07 -0.44 -0.12 0.00 0.13 0.00 0.00 42.46 41.95 1wge s ILE 41 CO -0.19 -0.11 1.70 0.35 -1.91 0.00 0.00 174.94 174.78 1wge n THR 42 N 5.29 0.07 -0.37 4.00 -2.24 -1.26 -2.20 114.28 117.58 1wge n THR 42 Ca -0.06 -0.01 0.28 0.00 -2.27 0.00 0.00 64.05 61.99 1wge n THR 42 Cb 0.49 -1.86 0.54 0.00 -2.10 0.00 0.00 70.33 67.40 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 6.84 0.26 -0.40 -0.78 3.11 -1.78 0.35 116.57 124.18 1wge h LYS 43 Ca -0.44 -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 32.36 1wge h LYS 43 CO 0.93 0.17 0.17 1.49 -2.81 0.00 0.00 179.45 179.41 1wge h GLU 44 N 0.27 0.35 -0.83 1.90 4.81 -1.88 -2.07 114.58 117.12 1wge h GLU 44 Ca 0.73 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 60.05 1wge h GLU 44 Cb 1.91 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 31.13 1wge h GLU 44 CO -0.47 0.23 0.46 -0.44 -0.73 0.00 0.00 179.01 178.06 1wge h ASP 45 N 0.36 0.62 -0.48 1.04 3.32 -0.65 -1.48 116.42 119.15 1wge h ASP 45 Ca 0.18 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1wge h ASP 45 Cb 0.12 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1wge h ASP 45 CO -0.15 0.33 0.31 -0.07 -1.72 0.00 0.00 179.24 177.94 1wge h LEU 46 N 0.73 0.53 -2.33 1.55 3.38 -1.24 -1.27 115.31 116.66 1wge h LEU 46 Ca 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1wge h LEU 46 Cb 0.46 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wge h LEU 46 CO -0.28 0.38 -0.03 -0.33 0.09 0.00 0.00 178.44 178.27 1wge h GLU 47 N 0.63 0.00 -0.18 1.13 5.08 -0.86 0.64 114.58 121.04 1wge h GLU 47 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wge h GLU 47 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1wge h GLU 47 CO -0.05 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 1wge n ASN 48 N -3.83 1.00 -1.17 1.42 3.02 -0.54 -4.78 115.26 110.37 1wge n ASN 48 Ca -0.03 -1.95 -0.07 0.00 -0.03 0.00 0.00 54.58 52.50 1wge n ASN 48 Cb 0.12 -0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.82 0.38 0.06 7.41 0.00 0.22 -4.99 105.19 109.09 1wge n GLY 49 Ca 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.53 0.00 -4.40 1.61 4.39 -1.43 -3.48 114.58 110.74 1wge h GLU 50 Ca -0.16 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.27 1wge h GLU 50 Cb 1.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1wge h GLU 50 CO 0.17 0.17 -0.38 -0.40 -1.16 0.00 0.00 179.01 177.41 1wge n ASP 51 N -4.69 -3.73 -3.84 1.42 5.68 -1.26 -4.93 116.55 105.20 1wge n ASP 51 Ca -0.05 0.03 -0.24 0.00 -0.50 0.00 0.00 54.79 54.02 1wge n ASP 51 Cb 0.17 -3.15 -0.17 0.00 -1.14 0.00 0.00 41.12 36.83 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1wge s VAL 52 N -2.69 0.66 -0.20 2.12 1.01 -1.26 -1.85 120.40 118.19 1wge s VAL 52 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1wge s VAL 52 Cb -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1wge s VAL 52 CO 0.16 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.58 1wge s ALA 53 N 1.79 3.14 0.10 5.51 0.00 -1.21 -4.85 121.76 126.24 1wge s ALA 53 Ca 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1wge s ALA 53 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1wge s ALA 53 CO -0.06 -0.09 0.24 0.99 0.00 0.00 0.00 175.76 176.84 1wge s THR 54 N 0.88 5.35 -0.15 0.00 2.01 -1.24 -3.37 115.64 119.12 1wge s THR 54 Ca 0.02 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 1wge s THR 54 Cb -0.14 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1wge s THR 54 CO 0.02 0.04 0.02 0.00 -0.69 0.00 0.00 174.62 174.01 1wge n PRO 56 N 3.22 0.49 0.00 0.00 -0.04 -1.26 -0.47 135.00 136.94 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 0.53 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.07 0.05 3.54 2.88 -1.26 -4.87 113.62 113.38 1wge n SER 57 Ca 0.03 0.01 0.10 0.00 -1.33 0.00 0.00 58.87 57.68 1wge n SER 57 Cb 0.02 -0.04 -0.07 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 -2.55 -2.56 -4.73 0.00 3.41 0.38 -4.91 113.62 102.67 1wge n SER 59 Ca -0.03 0.03 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1wge n SER 59 Cb 0.60 -1.60 0.07 0.00 -0.26 0.00 0.00 64.21 63.02 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 3.48 -0.12 1.04 1.43 -1.26 -4.30 118.68 117.53 1wge s LEU 60 Ca 0.00 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1wge s LEU 60 Cb 0.00 -4.61 0.02 0.00 0.03 0.00 0.00 46.19 41.63 1wge s LEU 60 CO 0.00 -2.07 -0.12 0.27 0.23 0.00 0.00 176.35 174.66 1wge s ILE 61 N -1.64 1.35 0.10 -0.59 -4.36 -1.25 -2.82 121.20 112.01 1wge s ILE 61 Ca 0.79 -0.52 0.10 0.00 -0.26 0.00 0.00 60.65 60.76 1wge s ILE 61 Cb -0.34 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 1wge s ILE 61 CO 0.41 0.42 -0.27 0.27 0.24 0.00 0.00 174.94 176.01 1wge s ILE 62 N 1.35 2.21 -0.28 8.37 -4.36 -1.22 -2.47 121.20 124.80 1wge s ILE 62 Ca 0.00 -1.65 -0.29 0.00 -0.26 0.00 0.00 60.65 58.46 1wge s ILE 62 Cb -0.14 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.65 1wge s ILE 62 CO -0.06 0.17 1.09 -0.75 0.24 0.00 0.00 174.94 175.62 1wge s LYS 63 N -1.81 4.14 -0.50 0.37 2.36 -1.11 -3.29 119.74 119.89 1wge s LYS 63 Ca 0.13 1.22 -0.22 0.00 -2.55 0.00 0.00 55.97 54.55 1wge s LYS 63 Cb -0.10 -3.71 0.04 0.00 -1.05 0.00 0.00 37.83 33.01 1wge s LYS 63 CO 0.05 -0.81 0.76 0.08 1.55 0.00 0.00 175.35 176.98 1wge s VAL 64 N 3.53 4.66 -0.73 4.02 1.01 -0.77 -0.50 120.40 131.62 1wge s VAL 64 Ca 0.46 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 1wge s VAL 64 Cb -0.14 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 31.91 1wge s VAL 64 CO 0.13 -0.85 1.24 -0.63 0.00 0.00 0.00 175.10 174.98 1wge s ILE 65 N 3.23 3.80 0.14 2.22 -1.09 0.80 -4.78 121.20 125.53 1wge s ILE 65 Ca 0.24 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 59.01 1wge s ILE 65 Cb -0.15 -4.89 -0.04 0.00 -1.58 0.00 0.00 42.46 35.80 1wge s ILE 65 CO 0.18 -1.81 -0.10 -0.72 -1.23 0.00 0.00 174.94 171.26 1wge s TYR 66 N 5.51 1.24 -0.69 3.97 -0.85 -1.26 -1.70 117.35 123.56 1wge s TYR 66 Ca 0.33 -0.75 -0.26 0.00 -0.52 0.00 0.00 57.07 55.87 1wge s TYR 66 Cb -0.09 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.60 1wge s TYR 66 CO 0.14 0.07 1.73 -0.51 -1.52 0.00 0.00 175.55 175.46 1wge s ASP 67 N -3.08 5.49 0.38 -0.18 1.01 -1.26 -4.84 116.67 114.20 1wge s ASP 67 Ca 0.15 -0.02 0.17 0.00 0.71 0.00 0.00 52.55 53.57 1wge s ASP 67 Cb 0.02 -2.54 1.07 0.00 1.01 0.00 0.00 42.92 42.48 1wge s ASP 67 CO 0.00 -2.27 1.75 0.11 0.21 0.00 0.00 175.17 174.97 1wge h LYS 68 N 13.29 0.40 -0.25 8.23 1.79 -1.99 0.65 116.57 138.69 1wge h LYS 68 Ca -0.21 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1wge h LYS 68 Cb 1.11 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 1wge h LYS 68 CO 1.24 0.27 -0.07 -0.44 -1.08 0.00 0.00 179.45 179.37 1wge h ASP 69 N 0.42 0.37 0.24 0.86 5.19 -1.93 0.28 116.42 121.83 1wge h ASP 69 Ca 0.62 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.95 1wge h ASP 69 Cb 1.51 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.92 1wge h ASP 69 CO -0.35 0.48 -0.11 1.56 -3.12 0.00 0.00 179.24 177.70 1wge h GLN 70 N 0.37 -0.31 -0.01 3.56 1.08 0.07 0.14 115.11 120.02 1wge h GLN 70 Ca 0.08 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1wge h GLN 70 Cb 0.36 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1wge h GLN 70 CO 0.02 0.06 -0.00 0.74 -0.95 0.00 0.00 178.83 178.69 1wge h PHE 71 N -0.76 0.02 0.04 2.96 -1.00 -1.36 -3.36 116.94 113.47 1wge h PHE 71 Ca -0.03 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 1wge h PHE 71 Cb 0.50 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1wge h PHE 71 CO 0.05 0.34 -0.02 0.52 -1.61 0.00 0.00 178.31 177.59 1wge h MET 72 N -0.31 -0.05 -5.77 1.51 2.86 -0.55 -3.38 114.93 109.25 1wge h MET 72 Ca 0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.25 1wge h MET 72 Cb 0.34 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 1wge h MET 72 CO 0.00 -0.03 1.08 0.00 1.06 0.00 0.00 176.91 179.01 1wge s GLY 74 N 6.79 2.01 -0.13 0.00 0.00 -1.26 -4.50 107.32 110.23 1wge s GLY 74 Ca 0.63 -2.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1wge s GLY 74 CO 0.00 1.04 3.01 -2.21 0.00 0.00 0.00 173.10 174.93 1wge n GLU 75 N 5.00 1.90 -3.63 2.90 2.13 -1.26 -4.86 120.64 122.81 1wge n GLU 75 Ca -0.10 -1.18 -0.38 0.00 0.66 0.00 0.00 57.16 56.16 1wge n GLU 75 Cb 0.42 -1.82 -0.11 0.00 0.27 0.00 0.00 31.44 30.20 1wge n GLU 75 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1wge s THR 76 N -0.20 4.95 0.09 6.31 -4.23 -1.26 -5.05 115.64 116.24 1wge s THR 76 Ca 0.50 -0.07 -0.32 0.00 -1.18 0.00 0.00 61.69 60.62 1wge s THR 76 Cb 0.27 -3.40 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 1wge s THR 76 CO -0.05 0.20 1.83 0.55 -0.54 0.00 0.00 174.62 176.61 1wge n VAL 77 N 5.02 0.40 -3.62 2.29 3.14 -1.26 -4.95 118.33 119.36 1wge n VAL 77 Ca -0.14 -0.07 -0.06 0.00 -2.96 0.00 0.00 64.34 61.10 1wge n VAL 77 Cb 0.51 -2.05 -0.02 0.00 -1.06 0.00 0.00 33.84 31.22 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 2.91 -0.29 0.00 6.55 0.01 -1.26 -5.09 113.70 116.53 1wge s SER 78 Ca 0.84 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1wge s SER 78 Cb -0.53 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1wge s SER 78 CO 0.40 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1wge n GLY 79 N -0.36 1.24 3.58 3.44 0.00 -1.26 -4.98 105.19 106.85 1wge n GLY 79 Ca -0.08 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 3.09 0.23 1.61 0.04 -1.26 -4.95 135.00 133.77 1wge s PRO 80 Ca 0.00 1.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 1wge s PRO 80 Cb 0.00 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.27 1wge s PRO 80 CO 0.00 -2.16 0.29 0.45 0.04 0.00 0.00 177.00 175.62 1wge s SER 81 N 6.56 0.18 0.45 6.66 0.15 -1.26 -5.16 113.70 121.28 1wge s SER 81 Ca 0.72 -1.24 -0.18 0.00 0.70 0.00 0.00 55.95 55.95 1wge s SER 81 Cb -0.17 0.49 -0.09 0.00 -1.71 0.00 0.00 66.02 64.53 1wge s SER 81 CO 0.28 -1.00 0.93 -0.94 1.20 0.00 0.00 173.24 173.72 1wge s SER 82 N -3.12 6.77 0.00 5.45 1.04 -1.26 -5.28 113.70 117.30 1wge s SER 82 Ca 0.32 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1wge s SER 82 Cb 0.03 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1wge s SER 82 CO 0.12 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.51