#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 -0.32 0.35 1.61 0.15 -1.26 -5.17 113.70 109.07 1wge s SER 2 Ca 0.00 0.61 -0.10 0.00 0.70 0.00 0.00 55.95 57.16 1wge s SER 2 Cb 0.00 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1wge s SER 2 CO 0.00 -0.11 0.62 -0.55 1.20 0.00 0.00 173.24 174.40 1wge s SER 3 N 0.25 0.42 0.33 5.45 0.15 -1.26 -5.19 113.70 113.85 1wge s SER 3 Ca -0.01 -1.27 0.02 0.00 0.70 0.00 0.00 55.95 55.39 1wge s SER 3 Cb -0.03 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1wge s SER 3 CO -0.00 -1.46 0.40 0.61 1.20 0.00 0.00 173.24 173.99 1wge n GLY 4 N -0.53 2.44 2.76 9.45 0.00 -1.26 -5.17 105.19 112.88 1wge n GLY 4 Ca -0.03 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1wge n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wge s SER 5 N -3.15 0.18 -0.74 1.61 0.15 -1.26 -5.10 113.70 105.40 1wge s SER 5 Ca 0.32 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.99 1wge s SER 5 Cb 0.00 -0.07 0.19 0.00 -1.71 0.00 0.00 66.02 64.43 1wge s SER 5 CO 0.23 -0.14 0.59 -0.44 1.20 0.00 0.00 173.24 174.67 1wge s SER 6 N 1.20 5.58 0.19 5.45 0.01 -1.26 -5.02 113.70 119.85 1wge s SER 6 Ca -0.07 -3.21 0.00 0.00 1.31 0.00 0.00 55.95 53.98 1wge s SER 6 Cb -0.13 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1wge s SER 6 CO -0.03 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1wge n GLY 7 N 3.02 -2.59 3.44 3.44 0.00 -1.26 -4.87 105.19 106.37 1wge n GLY 7 Ca 0.14 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.01 3.62 -0.67 1.61 1.00 -1.26 -5.06 119.30 115.53 1wge s MET 8 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 55.69 55.01 1wge s MET 8 Cb 0.00 -3.32 0.12 0.00 0.00 0.00 0.00 34.83 31.63 1wge s MET 8 CO 0.00 -0.20 0.76 0.00 0.00 0.00 0.00 175.02 175.58 1wge s ALA 9 N 1.61 3.51 -0.33 3.03 0.00 -1.26 -5.00 121.76 123.32 1wge s ALA 9 Ca 0.06 -2.46 0.04 0.00 0.00 0.00 0.00 51.96 49.60 1wge s ALA 9 Cb -0.15 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.47 1wge s ALA 9 CO 0.03 -2.41 0.02 0.54 0.00 0.00 0.00 175.76 173.94 1wge s VAL 10 N 2.31 2.24 0.20 0.00 0.11 -1.26 -5.11 120.40 118.89 1wge s VAL 10 Ca 0.15 -2.22 0.05 0.00 -2.93 0.00 0.00 61.98 57.03 1wge s VAL 10 Cb -0.20 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1wge s VAL 10 CO 0.02 -0.51 0.20 -0.36 -3.33 0.00 0.00 175.10 171.12 1wge s PHE 11 N 0.94 3.21 -0.00 1.54 0.40 -1.26 -4.73 117.98 118.07 1wge s PHE 11 Ca 0.08 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.18 1wge s PHE 11 Cb -0.19 -1.50 -0.28 0.00 0.51 0.00 0.00 43.02 41.56 1wge s PHE 11 CO -0.08 0.51 1.02 1.25 0.70 0.00 0.00 175.22 178.62 1wge h HIS 12 N 1.95 0.69 -1.81 0.36 -0.00 -1.91 -3.49 115.15 110.94 1wge h HIS 12 Ca -0.48 -0.44 0.24 0.00 -0.00 0.00 0.00 60.37 59.68 1wge h HIS 12 Cb 1.22 -0.05 -0.13 0.00 -0.00 0.00 0.00 27.41 28.44 1wge h HIS 12 CO 0.55 1.30 0.68 -0.51 -0.00 0.00 0.00 177.93 179.96 1wge s ASP 13 N -7.02 -0.16 -0.42 3.26 1.01 -1.26 -5.10 116.67 106.98 1wge s ASP 13 Ca -0.12 -0.15 -0.11 0.00 0.71 0.00 0.00 52.55 52.88 1wge s ASP 13 Cb 0.03 0.28 0.06 0.00 1.01 0.00 0.00 42.92 44.30 1wge s ASP 13 CO 0.86 -0.49 0.27 -1.61 0.21 0.00 0.00 175.17 174.41 1wge s GLU 14 N -2.75 2.75 -0.03 8.23 2.02 -1.26 -2.34 118.70 125.33 1wge s GLU 14 Ca 0.11 -1.31 0.03 0.00 0.02 0.00 0.00 54.97 53.82 1wge s GLU 14 Cb 0.01 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 1wge s GLU 14 CO -0.03 -0.89 -0.10 0.08 0.02 0.00 0.00 175.26 174.34 1wge s VAL 15 N 1.51 3.45 0.14 2.63 1.01 0.05 -4.91 120.40 124.28 1wge s VAL 15 Ca 0.03 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1wge s VAL 15 Cb -0.22 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 1wge s VAL 15 CO 0.05 0.51 0.88 -1.61 0.00 0.00 0.00 175.10 174.92 1wge s GLU 16 N -1.05 4.68 0.39 2.72 2.02 -1.26 -0.10 118.70 126.09 1wge s GLU 16 Ca 0.14 1.33 0.18 0.00 0.02 0.00 0.00 54.97 56.63 1wge s GLU 16 Cb -0.11 -3.33 1.09 0.00 0.10 0.00 0.00 34.13 31.88 1wge s GLU 16 CO 0.04 0.38 1.75 0.97 0.02 0.00 0.00 175.26 178.42 1wge h ILE 17 N 3.67 0.49 -1.34 -1.63 6.09 -1.67 0.11 117.51 123.24 1wge h ILE 17 Ca -0.44 -0.14 0.42 0.00 -1.37 0.00 0.00 64.86 63.33 1wge h ILE 17 Cb 1.21 0.05 -0.11 0.00 0.47 0.00 0.00 36.82 38.44 1wge h ILE 17 CO 0.69 0.07 0.89 1.05 -3.07 0.00 0.00 178.15 177.79 1wge h GLU 18 N 0.40 0.11 0.06 2.19 4.11 -1.92 1.36 114.58 120.89 1wge h GLU 18 Ca 0.62 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 59.81 1wge h GLU 18 Cb 1.53 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1wge h GLU 18 CO -0.34 0.07 -1.09 -0.44 0.07 0.00 0.00 179.01 177.28 1wge h ASP 19 N 0.11 0.29 -3.86 3.06 5.19 -1.16 -3.46 116.42 116.60 1wge h ASP 19 Ca 0.78 -0.29 -0.56 0.00 -0.62 0.00 0.00 57.03 56.35 1wge h ASP 19 Cb 2.54 -0.09 0.17 0.00 0.18 0.00 0.00 39.33 42.13 1wge h ASP 19 CO -0.33 1.19 0.21 0.49 -3.12 0.00 0.00 179.24 177.68 1wge n PHE 20 N -3.53 0.99 -3.57 4.55 3.01 0.47 -4.97 117.46 114.40 1wge n PHE 20 Ca -0.05 0.40 -0.40 0.00 1.01 0.00 0.00 57.45 58.41 1wge n PHE 20 Cb 0.95 -2.13 -0.11 0.00 -0.01 0.00 0.00 39.48 38.18 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 -3.35 3.34 0.12 -1.08 2.00 -0.55 -4.84 119.66 115.29 1wge s GLN 21 Ca 0.76 -0.74 -0.26 0.00 -2.00 0.00 0.00 55.36 53.12 1wge s GLN 21 Cb -0.35 -3.73 -0.07 0.00 0.80 0.00 0.00 33.01 29.66 1wge s GLN 21 CO 0.48 -0.48 0.79 -0.47 -0.50 0.00 0.00 175.29 175.11 1wge s TYR 22 N 1.67 3.84 -0.32 1.67 5.04 -1.26 -0.94 117.35 127.05 1wge s TYR 22 Ca 0.05 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.29 1wge s TYR 22 Cb -0.18 -2.82 0.10 0.00 0.35 0.00 0.00 41.96 39.41 1wge s TYR 22 CO 0.09 0.39 0.06 0.34 -1.34 0.00 0.00 175.55 175.09 1wge s ASP 23 N -0.63 4.37 0.44 4.32 2.15 -0.54 -4.98 116.67 121.81 1wge s ASP 23 Ca 0.38 -1.85 0.22 0.00 0.43 0.00 0.00 52.55 51.74 1wge s ASP 23 Cb -0.22 -1.26 1.21 0.00 -0.30 0.00 0.00 42.92 42.35 1wge s ASP 23 CO 0.25 -0.38 1.82 1.05 -0.17 0.00 0.00 175.17 177.74 1wge h GLU 24 N 7.85 0.29 -0.86 4.34 4.11 -1.95 0.53 114.58 128.88 1wge h GLU 24 Ca -0.09 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.46 1wge h GLU 24 Cb 1.02 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.06 1wge h GLU 24 CO 0.49 0.19 -0.31 -3.47 0.07 0.00 0.00 179.01 175.97 1wge n ASP 25 N -4.48 -0.51 -0.45 3.06 2.03 -1.26 -2.23 116.55 112.71 1wge n ASP 25 Ca 0.22 1.50 0.04 0.00 0.52 0.00 0.00 54.79 57.07 1wge n ASP 25 Cb 0.88 -0.36 0.06 0.00 -0.72 0.00 0.00 41.12 40.98 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wge n SER 26 N -5.30 0.96 -4.05 1.67 7.64 -0.77 -5.01 113.62 108.77 1wge n SER 26 Ca 0.10 -2.47 -0.35 0.00 1.01 0.00 0.00 58.87 57.16 1wge n SER 26 Cb 0.36 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.50 -1.28 -4.32 1.43 1.02 0.18 -4.86 120.64 112.32 1wge n GLU 27 Ca 0.07 0.22 -0.18 0.00 -0.02 0.00 0.00 57.16 57.24 1wge n GLU 27 Cb 0.72 -3.53 -0.14 0.00 -0.02 0.00 0.00 31.44 28.47 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 -3.85 0.79 0.49 2.62 2.01 -1.10 -2.16 115.64 114.44 1wge s THR 28 Ca 0.25 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1wge s THR 28 Cb -0.12 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1wge s THR 28 CO 0.94 0.07 0.75 -0.31 -0.69 0.00 0.00 174.62 175.39 1wge s TYR 29 N -0.53 3.35 0.06 4.92 1.51 -0.55 -1.46 117.35 124.65 1wge s TYR 29 Ca 0.01 0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 56.57 1wge s TYR 29 Cb -0.05 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1wge s TYR 29 CO 0.00 -0.42 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.95 1wge s PHE 30 N -2.70 0.54 -0.26 2.71 0.08 -0.11 -2.66 117.98 115.58 1wge s PHE 30 Ca 0.49 -1.07 -0.25 0.00 0.12 0.00 0.00 56.93 56.21 1wge s PHE 30 Cb -0.10 -0.39 0.07 0.00 -0.57 0.00 0.00 43.02 42.03 1wge s PHE 30 CO 0.42 -0.40 0.74 -0.47 -0.10 0.00 0.00 175.22 175.41 1wge s TYR 31 N -3.93 -0.75 -0.28 0.36 5.04 -1.17 -1.48 117.35 115.13 1wge s TYR 31 Ca 0.09 1.81 -0.29 0.00 -2.44 0.00 0.00 57.07 56.23 1wge s TYR 31 Cb 0.08 0.29 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 1wge s TYR 31 CO -0.09 -0.38 1.65 -1.25 -1.34 0.00 0.00 175.55 174.14 1wge s PRO 32 N 0.25 3.61 0.06 4.97 0.04 -1.26 0.63 135.00 143.29 1wge s PRO 32 Ca -0.00 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 1wge s PRO 32 Cb -0.05 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1wge s PRO 32 CO 0.01 -1.53 0.68 0.00 0.04 0.00 0.00 177.00 176.21 1wge n PRO 34 N 2.40 0.49 -0.01 0.00 -0.04 -1.26 -2.59 135.00 133.99 1wge n PRO 34 Ca -0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1wge n PRO 34 Cb 0.50 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.83 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 3.36 -1.40 3.76 0.00 0.00 -1.07 -5.07 105.19 104.76 1wge n GLY 36 Ca -0.05 0.48 -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 -2.98 5.61 -0.06 1.61 1.01 -1.26 -4.54 116.67 116.06 1wge s ASP 37 Ca 0.00 2.51 -0.23 0.00 0.71 0.00 0.00 52.55 55.54 1wge s ASP 37 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1wge s ASP 37 CO 0.00 -1.32 0.68 0.20 0.21 0.00 0.00 175.17 174.94 1wge s ASN 38 N -1.24 6.97 1.07 0.27 0.01 -1.26 -3.42 114.94 117.35 1wge s ASN 38 Ca 0.70 1.17 -0.20 0.00 -0.71 0.00 0.00 52.86 53.81 1wge s ASN 38 Cb -0.34 -2.40 0.01 0.00 0.41 0.00 0.00 41.25 38.93 1wge s ASN 38 CO 0.40 -0.09 -0.38 0.49 -1.51 0.00 0.00 177.10 176.01 1wge n PHE 39 N 3.66 -1.58 -3.65 2.20 3.72 0.21 -4.65 117.46 117.37 1wge n PHE 39 Ca -0.02 0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.58 1wge n PHE 39 Cb 0.51 -1.53 -0.07 0.00 -0.94 0.00 0.00 39.48 37.45 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 -2.18 -1.81 -0.07 4.37 0.00 -1.00 -3.07 121.76 117.99 1wge s ALA 40 Ca 0.50 2.33 -0.03 0.00 0.00 0.00 0.00 51.96 54.76 1wge s ALA 40 Cb -0.07 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.67 1wge s ALA 40 CO 0.67 -0.43 0.13 -1.50 0.00 0.00 0.00 175.76 174.63 1wge s ILE 41 N 1.75 -0.21 0.01 0.00 2.07 -1.09 -3.59 121.20 120.14 1wge s ILE 41 Ca -0.09 0.36 -0.30 0.00 -1.41 0.00 0.00 60.65 59.20 1wge s ILE 41 Cb -0.06 -0.26 -0.06 0.00 0.13 0.00 0.00 42.46 42.20 1wge s ILE 41 CO -0.19 0.14 1.54 0.42 -1.91 0.00 0.00 174.94 174.95 1wge s THR 42 N 2.25 3.45 0.40 4.00 -4.23 -1.26 -1.48 115.64 118.77 1wge s THR 42 Ca 0.04 0.80 0.26 0.00 -1.18 0.00 0.00 61.69 61.60 1wge s THR 42 Cb -0.12 -3.51 0.41 0.00 1.34 0.00 0.00 72.50 70.62 1wge s THR 42 CO -0.05 -0.02 1.58 1.17 -0.54 0.00 0.00 174.62 176.76 1wge n LYS 43 N 5.88 -0.05 -0.11 3.99 0.00 -0.92 0.93 118.16 127.88 1wge n LYS 43 Ca 0.15 1.33 -0.05 0.00 0.00 0.00 0.00 58.31 59.74 1wge n LYS 43 Cb 0.42 -2.48 0.03 0.00 0.00 0.00 0.00 35.03 33.00 1wge n LYS 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1wge h GLU 44 N 0.00 0.17 -0.73 1.64 4.81 -1.89 -1.80 114.58 116.78 1wge h GLU 44 Ca 0.86 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 60.17 1wge h GLU 44 Cb 2.49 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 31.76 1wge h GLU 44 CO -0.65 0.12 0.38 -0.44 -0.73 0.00 0.00 179.01 177.68 1wge h ASP 45 N 0.18 0.51 0.35 1.04 5.19 0.19 -2.06 116.42 121.83 1wge h ASP 45 Ca 0.19 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1wge h ASP 45 Cb 0.23 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 1wge h ASP 45 CO -0.26 0.30 -0.45 -0.07 -3.12 0.00 0.00 179.24 175.64 1wge h LEU 46 N 0.65 -1.25 -2.14 1.55 3.38 -1.22 -0.58 115.31 115.70 1wge h LEU 46 Ca 0.35 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.50 1wge h LEU 46 Cb 0.35 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1wge h LEU 46 CO -0.25 -0.57 0.29 -0.33 0.09 0.00 0.00 178.44 177.67 1wge h GLU 47 N -0.84 0.00 0.00 1.13 5.08 -1.13 0.51 114.58 119.32 1wge h GLU 47 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wge h GLU 47 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1wge h GLU 47 CO -0.12 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.98 1wge n ASN 48 N -3.61 0.00 -0.26 1.42 3.02 -0.28 -4.80 115.26 110.75 1wge n ASN 48 Ca 0.03 -1.50 -0.01 0.00 -0.03 0.00 0.00 54.58 53.07 1wge n ASN 48 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.66 0.47 0.00 7.41 0.00 0.18 -5.01 105.19 108.90 1wge n GLY 49 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.01 0.00 -3.19 1.61 -0.58 -0.88 -4.99 120.64 111.60 1wge n GLU 50 Ca -0.01 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 56.74 1wge n GLU 50 Cb 0.51 -0.59 0.05 0.00 -0.57 0.00 0.00 31.44 30.84 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 -1.45 -4.95 -3.88 1.62 8.00 -1.26 -4.95 116.55 109.68 1wge n ASP 51 Ca 0.00 -0.35 -0.19 0.00 0.71 0.00 0.00 54.79 54.96 1wge n ASP 51 Cb 0.00 -3.56 -0.16 0.00 -0.02 0.00 0.00 41.12 37.37 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 -3.19 0.44 -0.26 2.53 1.01 -1.26 -2.11 120.40 117.56 1wge s VAL 52 Ca 0.38 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 1wge s VAL 52 Cb -0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1wge s VAL 52 CO 0.47 0.20 0.04 0.00 0.00 0.00 0.00 175.10 175.81 1wge s ALA 53 N 0.88 3.02 0.02 5.51 0.00 -1.10 -4.78 121.76 125.32 1wge s ALA 53 Ca -0.11 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 1wge s ALA 53 Cb -0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 1wge s ALA 53 CO -0.00 -0.66 0.27 0.99 0.00 0.00 0.00 175.76 176.36 1wge s THR 54 N 1.53 5.30 -0.17 0.00 2.01 -1.24 -3.19 115.64 119.88 1wge s THR 54 Ca 0.05 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 1wge s THR 54 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1wge s THR 54 CO 0.01 0.33 0.04 0.00 -0.69 0.00 0.00 174.62 174.31 1wge n PRO 56 N 3.42 0.49 0.00 0.00 -0.04 -1.26 -0.23 135.00 137.38 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 -1.15 -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 0.15 0.06 3.54 2.88 -1.26 -4.86 113.62 113.48 1wge n SER 57 Ca 0.03 0.02 0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1wge n SER 57 Cb 0.02 -0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 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 -2.50 -2.80 -4.74 0.00 3.41 0.68 -4.93 113.62 102.74 1wge n SER 59 Ca -0.02 0.05 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 1wge n SER 59 Cb 0.56 -1.61 0.06 0.00 -0.26 0.00 0.00 64.21 62.96 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 -1.39 3.61 -0.13 1.04 1.43 -1.26 -4.36 118.68 117.62 1wge s LEU 60 Ca 0.00 2.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.70 1wge s LEU 60 Cb 0.00 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.64 1wge s LEU 60 CO 0.00 -1.91 -0.13 0.27 0.23 0.00 0.00 176.35 174.81 1wge s ILE 61 N -1.42 1.44 0.20 -0.59 -4.36 -1.24 -2.75 121.20 112.49 1wge s ILE 61 Ca 0.81 -0.57 0.11 0.00 -0.26 0.00 0.00 60.65 60.74 1wge s ILE 61 Cb -0.36 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1wge s ILE 61 CO 0.39 0.43 -0.23 0.27 0.24 0.00 0.00 174.94 176.04 1wge s ILE 62 N 1.32 2.40 -0.17 8.37 -4.36 -1.19 -2.69 121.20 124.88 1wge s ILE 62 Ca 0.00 -2.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.09 1wge s ILE 62 Cb -0.14 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 1wge s ILE 62 CO -0.07 -0.15 0.75 -0.75 0.24 0.00 0.00 174.94 174.96 1wge s LYS 63 N -2.79 4.27 -0.51 0.37 2.47 -0.99 -2.69 119.74 119.88 1wge s LYS 63 Ca 0.22 0.85 -0.19 0.00 -1.56 0.00 0.00 55.97 55.29 1wge s LYS 63 Cb -0.08 -3.57 0.06 0.00 -1.46 0.00 0.00 37.83 32.78 1wge s LYS 63 CO 0.11 -0.27 0.62 0.08 0.16 0.00 0.00 175.35 176.05 1wge s VAL 64 N 1.98 4.88 -0.78 4.02 1.01 -0.90 -0.77 120.40 129.84 1wge s VAL 64 Ca 0.35 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 1wge s VAL 64 Cb -0.16 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1wge s VAL 64 CO 0.12 -0.80 1.31 -0.63 0.00 0.00 0.00 175.10 175.10 1wge s ILE 65 N 2.62 3.74 0.16 2.22 -1.09 0.86 -4.74 121.20 124.98 1wge s ILE 65 Ca 0.15 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1wge s ILE 65 Cb -0.19 -4.92 -0.05 0.00 -1.58 0.00 0.00 42.46 35.72 1wge s ILE 65 CO 0.12 -1.86 -0.04 -0.72 -1.23 0.00 0.00 174.94 171.21 1wge s TYR 66 N 5.69 1.22 -0.53 3.97 -0.85 -1.26 -1.89 117.35 123.70 1wge s TYR 66 Ca 0.37 -0.90 -0.27 0.00 -0.52 0.00 0.00 57.07 55.75 1wge s TYR 66 Cb -0.07 -0.68 -0.03 0.00 0.38 0.00 0.00 41.96 41.57 1wge s TYR 66 CO 0.12 -0.08 1.94 -0.51 -1.52 0.00 0.00 175.55 175.50 1wge s ASP 67 N -3.17 5.27 0.00 -0.18 1.01 -1.26 -4.80 116.67 113.54 1wge s ASP 67 Ca 0.20 0.68 0.01 0.00 0.71 0.00 0.00 52.55 54.15 1wge s ASP 67 Cb 0.05 -2.52 0.04 0.00 1.01 0.00 0.00 42.92 41.49 1wge s ASP 67 CO 0.02 -2.32 1.00 0.29 0.21 0.00 0.00 175.17 174.37 1wge n LYS 68 N 8.99 0.00 -0.01 8.23 4.76 -1.26 -1.60 118.16 137.27 1wge n LYS 68 Ca 0.24 0.45 -0.22 0.00 -2.87 0.00 0.00 58.31 55.91 1wge n LYS 68 Cb 0.51 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.07 1wge n LYS 68 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1wge h ASP 69 N 0.00 0.34 -0.13 4.39 3.32 -1.90 -2.55 116.42 119.89 1wge h ASP 69 Ca 0.00 -0.83 -0.08 0.00 0.02 0.00 0.00 57.03 56.14 1wge h ASP 69 Cb 0.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1wge h ASP 69 CO 0.00 1.69 -0.18 0.06 -1.72 0.00 0.00 179.24 179.09 1wge h GLN 70 N -0.28 0.52 0.08 3.56 3.07 -1.47 0.77 115.11 121.36 1wge h GLN 70 Ca -0.36 -0.17 -0.11 0.00 0.09 0.00 0.00 58.65 58.10 1wge h GLN 70 Cb 1.79 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 29.32 1wge h GLN 70 CO 0.03 0.68 -0.47 0.74 0.09 0.00 0.00 178.83 179.89 1wge h PHE 71 N 0.47 0.29 0.00 0.06 -1.00 -1.63 -3.42 116.94 111.72 1wge h PHE 71 Ca 0.08 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1wge h PHE 71 Cb 0.58 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1wge h PHE 71 CO 0.02 1.18 -0.06 0.52 -1.61 0.00 0.00 178.31 178.36 1wge h MET 72 N -0.66 0.00 -6.58 1.51 2.86 -1.44 -3.46 114.93 107.16 1wge h MET 72 Ca -0.09 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.03 1wge h MET 72 Cb 1.36 0.00 0.05 0.00 0.06 0.00 0.00 31.60 33.06 1wge h MET 72 CO 0.08 0.00 1.02 0.00 1.06 0.00 0.00 176.91 179.07 1wge n GLY 74 N 4.02 -1.39 3.56 0.00 0.00 -1.26 -4.24 105.19 105.89 1wge n GLY 74 Ca 0.16 0.50 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 1wge n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wge s GLU 75 N 0.00 1.81 -0.40 1.61 8.01 -1.26 -4.72 118.70 123.75 1wge s GLU 75 Ca 0.00 0.13 0.05 0.00 0.01 0.00 0.00 54.97 55.15 1wge s GLU 75 Cb 0.00 -4.89 0.46 0.00 -4.31 0.00 0.00 34.13 25.39 1wge s GLU 75 CO 0.00 -4.31 1.43 -2.37 0.01 0.00 0.00 175.26 170.01 1wge n THR 76 N 8.57 2.84 -4.33 3.63 5.66 -1.26 -5.00 114.28 124.39 1wge n THR 76 Ca 0.45 -3.86 -0.20 0.00 -3.05 0.00 0.00 64.05 57.39 1wge n THR 76 Cb 0.45 -1.14 -0.13 0.00 -1.55 0.00 0.00 70.33 67.95 1wge n THR 76 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1wge s VAL 77 N -4.66 1.16 0.10 1.08 1.01 -1.26 -5.06 120.40 112.77 1wge s VAL 77 Ca 0.55 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.12 1wge s VAL 77 Cb 0.44 -1.06 -0.13 0.00 0.00 0.00 0.00 36.38 35.62 1wge s VAL 77 CO 0.03 -0.03 1.52 0.28 0.00 0.00 0.00 175.10 176.89 1wge h SER 78 N 4.77 -1.52 -0.95 3.32 0.02 -2.03 -3.46 113.55 113.69 1wge h SER 78 Ca -0.39 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1wge h SER 78 Cb 1.18 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1wge h SER 78 CO 0.43 -0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 1wge n GLY 79 N -1.44 5.30 3.56 -3.77 0.00 -1.26 -5.07 105.19 102.51 1wge n GLY 79 Ca -0.07 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.01 2.58 0.25 1.61 0.04 -1.26 -4.96 135.00 133.24 1wge s PRO 80 Ca 0.00 0.02 0.05 0.00 0.04 0.00 0.00 61.00 61.12 1wge s PRO 80 Cb 0.00 -4.83 -0.03 0.00 0.04 0.00 0.00 34.50 29.68 1wge s PRO 80 CO 0.00 -3.15 0.36 -1.12 0.04 0.00 0.00 177.00 173.12 1wge s SER 81 N 8.06 6.22 -0.14 6.66 0.01 -1.26 -5.06 113.70 128.19 1wge s SER 81 Ca 0.69 0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.87 1wge s SER 81 Cb -0.09 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 1wge s SER 81 CO 0.07 -0.10 -0.19 -1.54 0.41 0.00 0.00 173.24 171.88 1wge n SER 82 N -1.41 1.79 0.00 2.44 3.41 -1.26 -5.21 113.62 113.38 1wge n SER 82 Ca -0.08 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1wge n SER 82 Cb 0.57 -0.85 0.36 0.00 -0.26 0.00 0.00 64.21 64.03 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49