#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgj s TYR 2 N 0.00 3.34 0.40 -1.42 2.02 -1.26 -1.30 117.35 119.13 1wgj s TYR 2 Ca 0.00 0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 1wgj s TYR 2 Cb 0.00 -2.18 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1wgj s TYR 2 CO 0.00 0.18 0.11 0.25 -1.57 0.00 0.00 175.55 174.51 1wgj n THR 3 N 3.79 0.00 -4.40 -0.71 -2.24 -0.18 -4.92 114.28 105.61 1wgj n THR 3 Ca -0.16 -2.24 -0.22 0.00 -2.27 0.00 0.00 64.05 59.16 1wgj n THR 3 Cb 0.52 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.34 1wgj n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wgj s THR 4 N -2.93 1.40 -0.24 4.28 -4.23 -1.26 -0.38 115.64 112.28 1wgj s THR 4 Ca 0.15 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1wgj s THR 4 Cb 0.01 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.62 1wgj s THR 4 CO 0.11 0.02 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.51 1wgj s ARG 5 N -1.39 2.66 -0.20 3.99 3.52 0.90 -4.88 118.95 123.55 1wgj s ARG 5 Ca 0.04 -1.08 -0.09 0.00 -0.13 0.00 0.00 55.73 54.47 1wgj s ARG 5 Cb -0.09 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 1wgj s ARG 5 CO 0.02 -0.43 0.11 -1.14 -0.81 0.00 0.00 175.30 173.05 1wgj s GLN 6 N 1.25 4.09 -0.25 5.12 0.74 -1.26 -0.90 119.66 128.45 1wgj s GLN 6 Ca -0.02 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 1wgj s GLN 6 Cb -0.17 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.58 1wgj s GLN 6 CO -0.06 0.25 -0.00 0.42 -0.55 0.00 0.00 175.29 175.35 1wgj s ILE 7 N 0.48 3.50 0.00 -2.34 -1.09 -0.15 0.13 121.20 121.74 1wgj s ILE 7 Ca 0.06 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 1wgj s ILE 7 Cb -0.12 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1wgj s ILE 7 CO -0.00 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1wgj n GLY 8 N 4.80 -2.11 3.88 6.18 0.00 0.02 -1.72 105.19 116.25 1wgj n GLY 8 Ca -0.17 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 1wgj n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgj s ALA 9 N -1.17 3.87 0.54 4.61 0.00 -1.26 -2.62 121.76 125.73 1wgj s ALA 9 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 1wgj s ALA 9 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 1wgj s ALA 9 CO 0.00 0.65 1.30 0.21 0.00 0.00 0.00 175.76 177.92 1wgj s LYS 10 N -1.61 3.20 -0.64 0.00 2.20 -1.26 -3.14 119.74 118.49 1wgj s LYS 10 Ca 0.25 2.09 -0.01 0.00 -0.36 0.00 0.00 55.97 57.94 1wgj s LYS 10 Cb -0.13 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 1wgj s LYS 10 CO 0.14 -1.10 0.09 0.09 -0.36 0.00 0.00 175.35 174.21 1wgj n ASN 11 N -1.05 -3.02 -4.22 1.43 3.02 -1.26 -0.91 115.26 109.25 1wgj n ASN 11 Ca 0.11 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 1wgj n ASN 11 Cb 0.46 -2.18 -0.10 0.00 -0.61 0.00 0.00 39.78 37.35 1wgj n ASN 11 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wgj s THR 12 N -2.54 0.73 0.25 3.41 -4.23 -1.19 -4.71 115.64 107.37 1wgj s THR 12 Ca 0.04 -1.97 0.32 0.00 -1.18 0.00 0.00 61.69 58.90 1wgj s THR 12 Cb -0.02 -1.94 0.35 0.00 1.34 0.00 0.00 72.50 72.23 1wgj s THR 12 CO 0.05 -0.64 2.03 -0.07 -0.54 0.00 0.00 174.62 175.45 1wgj h LEU 13 N 2.80 0.00 -0.40 4.79 3.38 -1.96 -2.88 115.31 121.03 1wgj h LEU 13 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wgj h LEU 13 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wgj h LEU 13 CO 0.63 0.07 -0.20 -0.62 0.09 0.00 0.00 178.44 178.41 1wgj n GLU 14 N -3.26 0.78 -2.03 1.13 4.71 -1.26 -4.92 120.64 115.79 1wgj n GLU 14 Ca -0.01 -0.40 -0.42 0.00 -0.01 0.00 0.00 57.16 56.33 1wgj n GLU 14 Cb 0.28 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 1wgj n GLU 14 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1wgj s TYR 15 N -2.50 2.75 0.01 -0.32 5.04 -1.09 -4.51 117.35 116.72 1wgj s TYR 15 Ca 0.26 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1wgj s TYR 15 Cb 0.19 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.65 1wgj s TYR 15 CO 0.50 -3.26 -0.01 0.15 -1.34 0.00 0.00 175.55 171.60 1wgj s LYS 16 N 2.10 0.10 -0.22 4.97 1.02 -0.70 -4.39 119.74 122.62 1wgj s LYS 16 Ca 0.70 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 56.48 1wgj s LYS 16 Cb -0.38 0.04 0.06 0.00 -0.52 0.00 0.00 37.83 37.03 1wgj s LYS 16 CO 0.30 -0.02 -0.02 0.08 -0.92 0.00 0.00 175.35 174.78 1wgj s VAL 17 N -0.49 1.12 0.02 3.17 1.01 -0.43 -0.97 120.40 123.83 1wgj s VAL 17 Ca -0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1wgj s VAL 17 Cb -0.03 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1wgj s VAL 17 CO -0.00 -0.15 0.26 -0.31 0.00 0.00 0.00 175.10 174.90 1wgj s TYR 18 N 1.58 3.57 -0.14 5.22 1.51 -0.08 -1.12 117.35 127.89 1wgj s TYR 18 Ca -0.04 0.54 -0.16 0.00 -1.01 0.00 0.00 57.07 56.40 1wgj s TYR 18 Cb -0.18 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1wgj s TYR 18 CO -0.07 0.60 0.40 0.42 -1.11 0.00 0.00 175.55 175.79 1wgj s ILE 19 N -1.33 5.24 -0.01 2.71 1.01 -1.26 -0.07 121.20 127.49 1wgj s ILE 19 Ca 0.29 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1wgj s ILE 19 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1wgj s ILE 19 CO 0.17 0.35 0.05 -1.61 0.00 0.00 0.00 174.94 173.90 1wgj s GLU 20 N 0.60 2.97 -0.23 2.79 2.02 0.49 -0.86 118.70 126.48 1wgj s GLU 20 Ca 0.22 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.70 1wgj s GLU 20 Cb -0.14 -2.80 0.05 0.00 0.10 0.00 0.00 34.13 31.34 1wgj s GLU 20 CO 0.07 0.64 -0.13 0.21 0.02 0.00 0.00 175.26 176.08 1wgj s LYS 21 N -1.65 2.34 -1.51 1.61 2.47 0.49 -1.01 119.74 122.48 1wgj s LYS 21 Ca 0.21 -1.14 -0.11 0.00 -1.56 0.00 0.00 55.97 53.38 1wgj s LYS 21 Cb -0.12 -2.73 0.07 0.00 -1.46 0.00 0.00 37.83 33.59 1wgj s LYS 21 CO 0.12 -0.47 0.84 -0.25 0.16 0.00 0.00 175.35 175.75 1wgj n ASP 22 N 4.52 -3.38 0.00 1.43 8.00 -0.42 -0.96 116.55 125.74 1wgj n ASP 22 Ca -0.16 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1wgj n ASP 22 Cb 0.45 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1wgj n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgj n GLY 23 N -1.66 2.44 3.64 0.44 0.00 -1.26 -5.03 105.19 103.76 1wgj n GLY 23 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1wgj n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgj s LYS 24 N -0.37 3.98 0.34 1.61 1.02 -0.14 -4.99 119.74 121.19 1wgj s LYS 24 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 1wgj s LYS 24 Cb 0.00 -3.22 -0.11 0.00 -0.52 0.00 0.00 37.83 33.98 1wgj s LYS 24 CO 0.00 0.28 1.47 -2.14 -0.92 0.00 0.00 175.35 174.05 1wgj s PRO 25 N 0.35 4.17 0.18 -1.68 0.02 -1.26 -0.38 135.00 136.39 1wgj s PRO 25 Ca 0.03 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.57 1wgj s PRO 25 Cb -0.12 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1wgj s PRO 25 CO 0.00 -0.48 -0.06 0.14 -0.33 0.00 0.00 177.00 176.27 1wgj s VAL 26 N -0.75 1.07 0.05 3.83 -7.23 -0.04 -4.52 120.40 112.82 1wgj s VAL 26 Ca 0.55 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 1wgj s VAL 26 Cb -0.45 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 1wgj s VAL 26 CO 0.56 -0.58 1.47 -0.55 -0.31 0.00 0.00 175.10 175.68 1wgj s SER 27 N -3.21 6.77 0.45 4.85 0.15 -1.26 -4.37 113.70 117.09 1wgj s SER 27 Ca 0.21 2.28 0.29 0.00 0.70 0.00 0.00 55.95 59.44 1wgj s SER 27 Cb 0.04 -2.57 1.08 0.00 -1.71 0.00 0.00 66.02 62.86 1wgj s SER 27 CO 0.03 -0.75 1.85 0.00 1.20 0.00 0.00 173.24 175.58 1wgj h ALA 28 N 7.64 1.00 0.05 5.45 0.00 -1.67 -1.96 119.26 129.77 1wgj h ALA 28 Ca -0.40 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 1wgj h ALA 28 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1wgj h ALA 28 CO 0.90 0.00 -1.79 0.34 0.00 0.00 0.00 179.25 178.70 1wgj n PHE 29 N -2.87 0.92 -0.07 0.00 -0.00 -1.26 -4.65 117.46 109.52 1wgj n PHE 29 Ca 0.02 0.29 -0.07 0.00 -0.00 0.00 0.00 57.45 57.69 1wgj n PHE 29 Cb 0.34 -1.11 -0.11 0.00 -0.00 0.00 0.00 39.48 38.61 1wgj n PHE 29 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1wgj n HIS 30 N -3.95 0.00 1.02 -5.13 -0.00 -1.23 -0.50 115.22 105.43 1wgj n HIS 30 Ca -0.36 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.48 1wgj n HIS 30 Cb 0.87 -0.68 0.28 0.00 -0.00 0.00 0.00 29.99 30.47 1wgj n HIS 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1wgj n ASP 31 N -2.53 0.50 -4.61 0.41 8.00 -0.74 -4.78 116.55 112.79 1wgj n ASP 31 Ca -0.23 -0.24 -0.39 0.00 0.71 0.00 0.00 54.79 54.64 1wgj n ASP 31 Cb 0.94 0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 42.15 1wgj n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wgj s ILE 32 N -2.97 5.15 0.23 0.53 1.01 -1.23 -4.93 121.20 118.99 1wgj s ILE 32 Ca 0.12 0.64 -0.32 0.00 0.00 0.00 0.00 60.65 61.10 1wgj s ILE 32 Cb 0.18 -3.73 -0.13 0.00 0.01 0.00 0.00 42.46 38.78 1wgj s ILE 32 CO 0.68 0.14 1.48 -2.65 0.00 0.00 0.00 174.94 174.59 1wgj n PRO 33 N 5.39 2.19 -0.15 2.79 -0.02 -1.26 -4.35 135.00 139.58 1wgj n PRO 33 Ca -0.07 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1wgj n PRO 33 Cb 0.50 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1wgj n PRO 33 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wgj h LEU 34 N 4.76 0.53 -9.55 2.45 5.85 -1.90 -3.39 115.31 114.05 1wgj h LEU 34 Ca -0.45 -0.03 -0.63 0.00 0.84 0.00 0.00 57.88 57.60 1wgj h LEU 34 Cb 1.26 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 1wgj h LEU 34 CO 0.80 0.40 -0.39 -0.31 -0.34 0.00 0.00 178.44 178.61 1wgj s TYR 35 N -6.08 3.59 -0.14 1.25 2.02 -1.26 -1.29 117.35 115.45 1wgj s TYR 35 Ca -0.13 0.64 0.14 0.00 -0.37 0.00 0.00 57.07 57.35 1wgj s TYR 35 Cb 0.11 -2.12 -0.24 0.00 -0.40 0.00 0.00 41.96 39.32 1wgj s TYR 35 CO 0.73 0.59 0.30 0.00 -1.57 0.00 0.00 175.55 175.60 1wgj n ALA 36 N 2.36 1.47 -3.36 3.71 0.00 0.79 -4.75 120.51 120.73 1wgj n ALA 36 Ca -0.17 -1.07 -0.15 0.00 0.00 0.00 0.00 53.44 52.05 1wgj n ALA 36 Cb 0.53 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1wgj n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wgj s ASP 37 N -5.85 1.15 0.18 0.00 -1.08 -0.78 -4.97 116.67 105.32 1wgj s ASP 37 Ca -0.10 -1.09 -0.12 0.00 -0.52 0.00 0.00 52.55 50.72 1wgj s ASP 37 Cb 0.07 0.67 0.09 0.00 -1.46 0.00 0.00 42.92 42.29 1wgj s ASP 37 CO 0.81 -0.32 1.77 0.50 0.52 0.00 0.00 175.17 178.45 1wgj h LYS 38 N 7.64 0.90 -0.66 4.34 3.64 -1.85 0.34 116.57 130.91 1wgj h LYS 38 Ca -0.03 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1wgj h LYS 38 Cb 1.08 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1wgj h LYS 38 CO 0.25 0.72 0.35 0.93 -2.27 0.00 0.00 179.45 179.43 1wgj h GLU 39 N 0.86 0.92 -0.02 1.90 5.08 -1.96 -2.06 114.58 119.30 1wgj h GLU 39 Ca 0.21 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1wgj h GLU 39 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1wgj h GLU 39 CO -0.03 0.69 -0.04 0.09 -1.00 0.00 0.00 179.01 178.73 1wgj n ASN 40 N -4.36 2.53 -3.56 1.42 5.03 -1.08 -4.98 115.26 110.27 1wgj n ASN 40 Ca 0.06 -1.82 -0.21 0.00 0.87 0.00 0.00 54.58 53.48 1wgj n ASN 40 Cb 0.11 0.04 0.07 0.00 -1.02 0.00 0.00 39.78 38.98 1wgj n ASN 40 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wgj n ASN 41 N 0.93 -3.53 -4.72 6.41 3.02 0.97 -4.98 115.26 113.36 1wgj n ASN 41 Ca 0.15 -0.64 -0.36 0.00 -0.03 0.00 0.00 54.58 53.70 1wgj n ASN 41 Cb 0.53 -4.85 -0.07 0.00 -0.61 0.00 0.00 39.78 34.77 1wgj n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wgj s ILE 42 N -3.39 5.32 0.19 2.41 -1.09 0.14 -4.49 121.20 120.30 1wgj s ILE 42 Ca 0.24 0.48 0.07 0.00 -2.23 0.00 0.00 60.65 59.22 1wgj s ILE 42 Cb -0.11 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1wgj s ILE 42 CO 0.75 0.38 0.06 -0.36 -1.23 0.00 0.00 174.94 174.55 1wgj s PHE 43 N 0.54 2.95 -0.26 3.97 0.08 -0.48 -0.15 117.98 124.63 1wgj s PHE 43 Ca 0.15 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.95 1wgj s PHE 43 Cb -0.13 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1wgj s PHE 43 CO 0.03 0.53 0.33 -0.80 -0.10 0.00 0.00 175.22 175.21 1wgj s ASN 44 N -3.19 6.22 -0.13 1.36 0.01 -0.41 -1.39 114.94 117.41 1wgj s ASN 44 Ca 0.30 0.25 -0.02 0.00 -0.71 0.00 0.00 52.86 52.67 1wgj s ASN 44 Cb -0.09 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1wgj s ASN 44 CO 0.21 -0.13 -0.06 -0.32 -1.51 0.00 0.00 177.10 175.28 1wgj s MET 45 N 1.86 3.45 -0.22 -0.60 -2.45 0.39 -4.19 119.30 117.54 1wgj s MET 45 Ca 0.14 -0.56 -0.16 0.00 -1.25 0.00 0.00 55.69 53.86 1wgj s MET 45 Cb -0.16 -2.80 -0.04 0.00 1.25 0.00 0.00 34.83 33.09 1wgj s MET 45 CO 0.09 0.31 0.39 0.08 1.05 0.00 0.00 175.02 176.95 1wgj s VAL 46 N 0.15 5.19 -0.15 10.11 1.01 -0.18 -1.07 120.40 135.46 1wgj s VAL 46 Ca -0.03 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 1wgj s VAL 46 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1wgj s VAL 46 CO 0.03 0.22 0.72 -0.69 0.00 0.00 0.00 175.10 175.38 1wgj s VAL 47 N 1.54 4.99 -0.22 2.92 1.01 0.26 -1.76 120.40 129.14 1wgj s VAL 47 Ca 0.18 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 1wgj s VAL 47 Cb -0.15 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1wgj s VAL 47 CO 0.08 0.13 -0.34 -0.62 0.00 0.00 0.00 175.10 174.35 1wgj n GLU 48 N 4.69 0.54 -4.08 2.72 1.02 -0.18 -0.45 120.64 124.90 1wgj n GLU 48 Ca 0.00 0.23 -0.32 0.00 -0.02 0.00 0.00 57.16 57.05 1wgj n GLU 48 Cb 0.50 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.34 1wgj n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wgj s ILE 49 N -2.70 1.95 0.59 -3.67 1.01 -0.45 -4.47 121.20 113.47 1wgj s ILE 49 Ca -0.32 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.16 1wgj s ILE 49 Cb 0.09 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1wgj s ILE 49 CO 0.44 0.42 1.12 -2.84 0.00 0.00 0.00 174.94 174.08 1wgj s PRO 50 N 1.31 3.15 0.46 2.79 0.02 -1.26 -0.56 135.00 140.90 1wgj s PRO 50 Ca 0.03 1.51 -0.25 0.00 0.02 0.00 0.00 61.00 62.31 1wgj s PRO 50 Cb -0.14 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1wgj s PRO 50 CO -0.11 -1.00 1.40 -2.13 -0.33 0.00 0.00 177.00 174.84 1wgj n ARG 51 N -1.75 2.15 -1.89 5.54 0.63 -1.24 -2.80 116.66 117.31 1wgj n ARG 51 Ca 0.11 0.77 -0.14 0.00 -0.92 0.00 0.00 57.85 57.67 1wgj n ARG 51 Cb 0.51 -2.59 -0.03 0.00 0.45 0.00 0.00 32.46 30.80 1wgj n ARG 51 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1wgj n TRP 52 N -0.30 -0.37 -4.33 -0.14 8.01 0.15 -4.94 117.44 115.51 1wgj n TRP 52 Ca 0.06 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.98 1wgj n TRP 52 Cb 0.41 -2.72 -0.08 0.00 -2.01 0.00 0.00 31.31 26.91 1wgj n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1wgj s THR 53 N -2.60 2.10 0.00 -0.99 -4.23 -1.12 -4.73 115.64 104.06 1wgj s THR 53 Ca 0.00 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1wgj s THR 53 Cb 0.00 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1wgj s THR 53 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1wgj n ASN 54 N -1.17 4.46 -4.68 3.99 4.13 -1.26 -1.88 115.26 118.85 1wgj n ASN 54 Ca -0.04 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.76 1wgj n ASN 54 Cb 0.66 0.52 -0.04 0.00 -1.54 0.00 0.00 39.78 39.37 1wgj n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wgj n ALA 55 N -1.75 1.19 -2.78 5.41 0.00 -1.26 -0.46 120.51 120.86 1wgj n ALA 55 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 1wgj n ALA 55 Cb 0.37 -2.54 -0.00 0.00 0.00 0.00 0.00 19.45 17.28 1wgj n ALA 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wgj s LYS 56 N 3.79 4.03 0.21 0.00 2.36 -0.74 -4.89 119.74 124.49 1wgj s LYS 56 Ca 0.90 -2.29 -0.25 0.00 -2.55 0.00 0.00 55.97 51.78 1wgj s LYS 56 Cb -0.61 -5.28 -0.09 0.00 -1.05 0.00 0.00 37.83 30.80 1wgj s LYS 56 CO 0.47 -1.99 0.83 -0.51 1.55 0.00 0.00 175.35 175.69 1wgj s LEU 57 N 2.83 4.52 0.05 5.43 1.43 -1.26 -0.80 118.68 130.88 1wgj s LEU 57 Ca 0.48 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 55.15 1wgj s LEU 57 Cb 0.00 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.72 1wgj s LEU 57 CO 0.03 0.13 0.26 -1.61 0.23 0.00 0.00 176.35 175.39 1wgj s GLU 58 N -1.43 0.77 0.15 1.70 2.02 -0.51 -4.62 118.70 116.78 1wgj s GLU 58 Ca 0.40 -0.58 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 1wgj s GLU 58 Cb -0.22 0.33 -0.09 0.00 0.10 0.00 0.00 34.13 34.24 1wgj s GLU 58 CO 0.26 -0.24 1.50 0.42 0.02 0.00 0.00 175.26 177.22 1wgj s ILE 59 N -2.64 2.87 -0.19 -1.63 1.01 -1.26 -1.09 121.20 118.27 1wgj s ILE 59 Ca -0.04 0.63 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 1wgj s ILE 59 Cb -0.01 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1wgj s ILE 59 CO -0.04 0.05 0.50 -0.89 0.00 0.00 0.00 174.94 174.56 1wgj s THR 60 N 1.10 5.13 0.25 2.92 2.01 0.44 -4.92 115.64 122.56 1wgj s THR 60 Ca 0.68 0.93 0.11 0.00 0.31 0.00 0.00 61.69 63.72 1wgj s THR 60 Cb -0.41 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1wgj s THR 60 CO 0.31 0.21 1.59 0.11 -0.69 0.00 0.00 174.62 176.15 1wgj h LYS 61 N 7.35 0.00 -0.01 4.92 1.57 -1.92 -3.32 116.57 125.17 1wgj h LYS 61 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1wgj h LYS 61 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1wgj h LYS 61 CO 0.74 0.63 -0.18 0.39 -0.57 0.00 0.00 179.45 180.46 1wgj n GLU 62 N -3.74 0.86 -4.34 3.15 4.71 -1.26 -0.86 120.64 119.15 1wgj n GLU 62 Ca -0.01 -0.44 -0.35 0.00 -0.01 0.00 0.00 57.16 56.35 1wgj n GLU 62 Cb 0.64 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 29.48 1wgj n GLU 62 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1wgj s GLU 63 N -2.44 2.99 0.18 3.49 0.41 -1.25 -4.73 118.70 117.35 1wgj s GLU 63 Ca 0.27 -0.41 -0.33 0.00 -0.41 0.00 0.00 54.97 54.09 1wgj s GLU 63 Cb 0.20 -2.80 -0.13 0.00 -1.78 0.00 0.00 34.13 29.61 1wgj s GLU 63 CO 0.49 0.70 1.64 2.41 -0.49 0.00 0.00 175.26 180.01 1wgj n THR 64 N 2.06 0.02 -0.98 3.63 -1.04 -1.26 -0.63 114.28 116.07 1wgj n THR 64 Ca -0.18 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1wgj n THR 64 Cb 0.54 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1wgj n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wgj n LEU 65 N 3.64 0.33 -4.06 -4.42 4.77 -1.26 -4.42 117.00 111.58 1wgj n LEU 65 Ca 0.16 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.70 1wgj n LEU 65 Cb 0.32 -1.07 0.02 0.00 -2.33 0.00 0.00 43.42 40.35 1wgj n LEU 65 CO 0.64 -0.31 -0.17 0.59 -1.33 0.00 0.00 177.39 176.80 1wgj n ASN 66 N -0.29 -4.06 -4.66 -1.43 4.13 0.20 -2.55 115.26 106.60 1wgj n ASN 66 Ca 0.00 -1.26 -0.29 0.00 1.68 0.00 0.00 54.58 54.70 1wgj n ASN 66 Cb 0.14 -1.55 0.17 0.00 -1.54 0.00 0.00 39.78 37.01 1wgj n ASN 66 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wgj s PRO 67 N -7.24 0.64 -0.17 3.52 0.04 -1.26 -3.83 135.00 126.69 1wgj s PRO 67 Ca 0.44 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 1wgj s PRO 67 Cb -0.25 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1wgj s PRO 67 CO 0.95 -2.67 0.58 0.42 0.04 0.00 0.00 177.00 176.32 1wgj s ILE 68 N -2.82 5.08 0.03 0.56 1.01 -0.27 -0.42 121.20 124.36 1wgj s ILE 68 Ca 0.65 1.11 0.01 0.00 0.00 0.00 0.00 60.65 62.42 1wgj s ILE 68 Cb -0.20 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1wgj s ILE 68 CO 0.59 0.18 -0.06 -0.63 0.00 0.00 0.00 174.94 175.02 1wgj s ILE 69 N 1.51 0.35 0.13 2.92 1.01 -0.25 -1.31 121.20 125.56 1wgj s ILE 69 Ca 0.28 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1wgj s ILE 69 Cb -0.16 -0.48 -0.07 0.00 0.01 0.00 0.00 42.46 41.76 1wgj s ILE 69 CO 0.11 -0.45 1.16 -1.58 0.00 0.00 0.00 174.94 174.19 1wgj s GLN 70 N -1.58 4.50 0.81 2.79 0.74 -1.26 -1.42 119.66 124.23 1wgj s GLN 70 Ca -0.12 1.78 -0.12 0.00 0.05 0.00 0.00 55.36 56.94 1wgj s GLN 70 Cb -0.10 -3.30 0.08 0.00 1.10 0.00 0.00 33.01 30.80 1wgj s GLN 70 CO -0.00 -0.11 1.15 0.34 -0.55 0.00 0.00 175.29 176.12 1wgj s ASP 71 N 0.46 3.85 0.10 6.67 2.15 0.02 -4.86 116.67 125.05 1wgj s ASP 71 Ca 0.54 2.13 0.05 0.00 0.43 0.00 0.00 52.55 55.70 1wgj s ASP 71 Cb -0.30 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.72 1wgj s ASP 71 CO 0.33 -2.48 -0.13 0.42 -0.17 0.00 0.00 175.17 173.14 1wgj s THR 72 N -2.50 1.15 -0.07 1.71 -4.23 -1.26 -0.99 115.64 109.45 1wgj s THR 72 Ca 0.68 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1wgj s THR 72 Cb -0.23 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.32 1wgj s THR 72 CO 0.52 -0.38 0.01 -0.54 -0.54 0.00 0.00 174.62 173.69 1wgj s LYS 73 N -2.36 0.51 -1.40 3.99 -0.14 0.11 -4.80 119.74 115.65 1wgj s LYS 73 Ca 0.04 0.14 -0.02 0.00 -1.36 0.00 0.00 55.97 54.77 1wgj s LYS 73 Cb -0.06 -0.92 0.01 0.00 -1.68 0.00 0.00 37.83 35.18 1wgj s LYS 73 CO 0.02 -0.31 0.54 1.63 -0.76 0.00 0.00 175.35 176.47 1wgj n LYS 74 N 5.17 -3.85 -0.38 1.68 5.02 -1.26 -0.76 118.16 123.79 1wgj n LYS 74 Ca -0.06 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1wgj n LYS 74 Cb 0.50 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1wgj n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgj n GLY 75 N -1.83 2.06 3.60 0.72 0.00 -1.26 -5.00 105.19 103.48 1wgj n GLY 75 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1wgj n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgj s LYS 76 N -0.03 2.14 0.34 1.61 3.01 0.06 -5.10 119.74 121.77 1wgj s LYS 76 Ca 0.00 -1.48 -0.29 0.00 -1.01 0.00 0.00 55.97 53.19 1wgj s LYS 76 Cb 0.00 -2.08 -0.11 0.00 -1.01 0.00 0.00 37.83 34.64 1wgj s LYS 76 CO 0.00 0.36 1.43 -0.51 0.51 0.00 0.00 175.35 177.14 1wgj s LEU 77 N -3.56 4.37 -0.15 3.17 1.43 -1.26 0.08 118.68 122.75 1wgj s LEU 77 Ca 0.30 2.87 -0.16 0.00 -1.03 0.00 0.00 54.13 56.12 1wgj s LEU 77 Cb -0.06 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1wgj s LEU 77 CO 0.18 -0.74 0.41 -0.60 0.23 0.00 0.00 176.35 175.83 1wgj s ARG 78 N -1.67 4.28 0.01 1.70 3.52 -0.16 -4.64 118.95 121.98 1wgj s ARG 78 Ca 0.53 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 56.48 1wgj s ARG 78 Cb -0.44 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 1wgj s ARG 78 CO 0.56 0.13 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.95 1wgj s PHE 79 N 0.75 1.51 0.13 5.12 0.40 -1.26 -1.79 117.98 122.84 1wgj s PHE 79 Ca 0.22 -0.31 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 1wgj s PHE 79 Cb -0.14 -0.94 -0.07 0.00 0.51 0.00 0.00 43.02 42.37 1wgj s PHE 79 CO 0.08 0.01 0.69 0.08 0.70 0.00 0.00 175.22 176.78 1wgj s VAL 80 N -0.55 4.52 0.57 -0.44 1.01 0.39 -4.91 120.40 120.99 1wgj s VAL 80 Ca 0.06 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 1wgj s VAL 80 Cb -0.07 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1wgj s VAL 80 CO 0.00 0.52 1.02 -0.13 0.00 0.00 0.00 175.10 176.51 1wgj s ARG 81 N -1.17 3.64 -0.21 2.72 1.81 -1.26 -4.76 118.95 119.72 1wgj s ARG 81 Ca 0.33 0.96 -0.25 0.00 -1.72 0.00 0.00 55.73 55.06 1wgj s ARG 81 Cb -0.21 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.19 1wgj s ARG 81 CO 0.23 -0.53 0.82 -0.80 -0.68 0.00 0.00 175.30 174.35 1wgj s ASN 82 N -3.33 6.87 -0.23 0.23 0.01 -1.25 -4.63 114.94 112.61 1wgj s ASN 82 Ca 0.59 1.08 -0.01 0.00 -0.71 0.00 0.00 52.86 53.80 1wgj s ASN 82 Cb -0.12 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1wgj s ASN 82 CO 0.40 -0.46 -0.09 0.00 -1.51 0.00 0.00 177.10 175.44 1wgj n PHE 84 N 4.67 1.32 -0.46 0.00 7.35 0.69 -0.26 117.46 130.78 1wgj n PHE 84 Ca -0.18 0.67 -0.04 0.00 -0.76 0.00 0.00 57.45 57.14 1wgj n PHE 84 Cb 0.48 -2.28 0.22 0.00 0.35 0.00 0.00 39.48 38.25 1wgj n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1wgj n PRO 85 N 1.51 3.01 -3.72 -7.13 -0.04 -1.26 -4.79 135.00 122.58 1wgj n PRO 85 Ca 0.13 -2.22 -0.30 0.00 -0.04 0.00 0.00 63.50 61.08 1wgj n PRO 85 Cb 0.27 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1wgj n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wgj s HIS 86 N -2.31 3.48 -0.35 0.54 3.76 0.65 -5.07 115.29 115.99 1wgj s HIS 86 Ca 0.40 0.44 -0.04 0.00 -0.15 0.00 0.00 55.06 55.71 1wgj s HIS 86 Cb 0.32 -1.92 0.07 0.00 1.11 0.00 0.00 32.58 32.16 1wgj s HIS 86 CO 0.10 0.44 0.10 -1.58 -0.85 0.00 0.00 174.74 172.95 1wgj s HIS 87 N -1.70 3.36 0.00 1.40 2.46 -1.26 -3.52 115.29 116.02 1wgj s HIS 87 Ca 0.39 -1.88 0.00 0.00 0.47 0.00 0.00 55.06 54.04 1wgj s HIS 87 Cb -0.12 -2.51 0.00 0.00 -0.13 0.00 0.00 32.58 29.82 1wgj s HIS 87 CO 0.27 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 172.11 1wgj n GLY 88 N 4.68 2.68 3.75 1.59 0.00 -1.26 -4.11 105.19 112.52 1wgj n GLY 88 Ca -0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1wgj n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgj s TYR 89 N 0.00 3.81 -1.94 1.61 1.51 -0.79 -4.87 117.35 116.69 1wgj s TYR 89 Ca 0.00 1.81 0.22 0.00 -1.01 0.00 0.00 57.07 58.10 1wgj s TYR 89 Cb 0.00 -3.11 0.66 0.00 -0.11 0.00 0.00 41.96 39.40 1wgj s TYR 89 CO 0.00 0.03 1.55 0.44 -1.11 0.00 0.00 175.55 176.46 1wgj n ILE 90 N 1.60 1.04 -3.95 2.71 -5.35 -1.26 0.30 119.36 114.44 1wgj n ILE 90 Ca -0.01 -1.00 -0.09 0.00 -0.27 0.00 0.00 62.75 61.38 1wgj n ILE 90 Cb 0.46 0.47 -0.08 0.00 -1.74 0.00 0.00 39.64 38.75 1wgj n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1wgj s HIS 91 N -1.07 0.34 -0.14 4.28 3.76 -1.26 -4.93 115.29 116.27 1wgj s HIS 91 Ca 0.50 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 54.34 1wgj s HIS 91 Cb 0.26 -0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.78 1wgj s HIS 91 CO 0.33 -0.54 1.08 -0.80 -0.85 0.00 0.00 174.74 173.97 1wgj s ASN 92 N -2.91 7.13 -0.03 1.40 0.01 -1.00 -3.60 114.94 115.94 1wgj s ASN 92 Ca 0.09 1.57 0.02 0.00 -0.71 0.00 0.00 52.86 53.83 1wgj s ASN 92 Cb 0.05 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1wgj s ASN 92 CO -0.08 -0.57 -0.07 -0.47 -1.51 0.00 0.00 177.10 174.40 1wgj s TYR 93 N 2.54 2.91 0.00 2.20 5.04 0.27 -0.56 117.35 129.75 1wgj s TYR 93 Ca 0.49 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1wgj s TYR 93 Cb -0.19 -1.66 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1wgj s TYR 93 CO 0.15 0.35 0.00 0.41 -1.34 0.00 0.00 175.55 175.12 1wgj n GLY 94 N 1.88 2.04 3.47 8.97 0.00 -0.79 -1.01 105.19 119.74 1wgj n GLY 94 Ca -0.17 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1wgj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgj s ALA 95 N -1.00 -0.45 -0.20 4.61 0.00 -0.72 -1.75 121.76 122.25 1wgj s ALA 95 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 1wgj s ALA 95 Cb 0.00 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 1wgj s ALA 95 CO 0.00 -0.76 0.12 -0.06 0.00 0.00 0.00 175.76 175.07 1wgj s PHE 96 N -3.94 3.38 0.86 0.00 0.08 -0.84 -1.01 117.98 116.51 1wgj s PHE 96 Ca 0.15 0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.37 1wgj s PHE 96 Cb 0.01 -2.16 0.10 0.00 -0.57 0.00 0.00 43.02 40.40 1wgj s PHE 96 CO 0.01 0.26 1.09 -1.25 -0.10 0.00 0.00 175.22 175.23 1wgj s PRO 97 N 0.42 1.59 -1.46 0.24 0.04 -1.26 -3.91 135.00 130.65 1wgj s PRO 97 Ca 0.07 0.79 -0.08 0.00 0.04 0.00 0.00 61.00 61.83 1wgj s PRO 97 Cb -0.11 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1wgj s PRO 97 CO -0.01 -2.00 0.87 1.04 0.04 0.00 0.00 177.00 176.93 1wgj n GLN 98 N -3.72 -6.02 -4.16 4.56 6.02 0.35 -4.39 117.38 110.02 1wgj n GLN 98 Ca 0.07 0.80 -0.11 0.00 -0.01 0.00 0.00 57.00 57.76 1wgj n GLN 98 Cb 0.55 -5.73 -0.10 0.00 1.02 0.00 0.00 30.24 25.98 1wgj n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wgj s THR 99 N -3.23 0.68 -0.21 5.09 -4.23 -1.25 -4.34 115.64 108.14 1wgj s THR 99 Ca 0.47 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1wgj s THR 99 Cb -0.22 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.04 1wgj s THR 99 CO 0.58 -0.87 0.50 0.86 -0.54 0.00 0.00 174.62 175.16 1wgj s TRP 100 N -3.57 -0.79 -0.77 3.99 -0.00 -0.43 -4.00 118.94 113.37 1wgj s TRP 100 Ca 0.11 1.60 -0.22 0.00 -0.00 0.00 0.00 56.10 57.60 1wgj s TRP 100 Cb 0.05 0.40 0.08 0.00 -0.00 0.00 0.00 33.47 34.00 1wgj s TRP 100 CO -0.05 -0.43 1.08 -1.21 -0.00 0.00 0.00 176.95 176.35 1wgj s GLU 101 N 1.65 3.29 -0.03 5.86 0.41 0.30 -4.63 118.70 125.55 1wgj s GLU 101 Ca -0.09 -1.06 -0.31 0.00 -0.41 0.00 0.00 54.97 53.11 1wgj s GLU 101 Cb -0.08 -4.52 -0.09 0.00 -1.78 0.00 0.00 34.13 27.66 1wgj s GLU 101 CO -0.15 -1.88 1.99 -3.47 -0.49 0.00 0.00 175.26 171.26 1wgj n ASP 102 N 7.67 3.84 -0.13 -0.19 -0.08 -1.26 -0.89 116.55 125.52 1wgj n ASP 102 Ca 0.08 0.82 0.14 0.00 -1.51 0.00 0.00 54.79 54.31 1wgj n ASP 102 Cb 0.47 -1.49 0.51 0.00 2.34 0.00 0.00 41.12 42.95 1wgj n ASP 102 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1wgj n PRO 103 N 7.50 0.61 0.10 -0.67 -0.04 -1.26 -0.40 135.00 140.84 1wgj n PRO 103 Ca 0.22 -0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1wgj n PRO 103 Cb 0.38 -1.49 0.21 0.00 -0.04 0.00 0.00 33.50 32.56 1wgj n PRO 103 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1wgj h ASN 104 N 0.64 0.00 -4.65 3.54 2.35 -1.89 -3.42 115.58 112.14 1wgj h ASN 104 Ca 0.00 -0.10 -0.29 0.00 -0.55 0.00 0.00 56.30 55.36 1wgj h ASN 104 Cb 0.42 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.60 1wgj h ASN 104 CO 0.00 0.05 -0.73 0.68 -1.65 0.00 0.00 177.43 175.78 1wgj s VAL 105 N -3.18 0.68 -0.00 2.81 -7.23 -1.25 -5.08 120.40 107.14 1wgj s VAL 105 Ca 0.07 -1.33 -0.25 0.00 -1.81 0.00 0.00 61.98 58.66 1wgj s VAL 105 Cb 0.11 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1wgj s VAL 105 CO 0.69 -0.48 0.76 -0.55 -0.31 0.00 0.00 175.10 175.21 1wgj s SER 106 N -1.97 7.14 -0.11 4.85 0.15 -1.26 -3.77 113.70 118.71 1wgj s SER 106 Ca -0.03 1.36 -0.26 0.00 0.70 0.00 0.00 55.95 57.72 1wgj s SER 106 Cb -0.06 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1wgj s SER 106 CO -0.00 -0.06 0.86 -1.00 1.20 0.00 0.00 173.24 174.24 1wgj s HIS 107 N 0.38 3.50 0.27 3.44 3.76 -0.42 -4.84 115.29 121.38 1wgj s HIS 107 Ca 0.39 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 1wgj s HIS 107 Cb -0.19 -3.02 0.62 0.00 1.11 0.00 0.00 32.58 31.09 1wgj s HIS 107 CO 0.21 -0.14 1.70 -1.35 -0.85 0.00 0.00 174.74 174.32 1wgj h PRO 108 N 7.10 0.39 -0.61 8.40 0.11 -1.95 0.67 132.00 146.10 1wgj h PRO 108 Ca -0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1wgj h PRO 108 Cb 1.16 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1wgj h PRO 108 CO 0.81 0.26 0.34 0.93 -0.21 0.00 0.00 178.00 180.13 1wgj h GLU 109 N 0.40 0.85 0.00 1.05 3.07 -1.96 -3.29 114.58 114.70 1wgj h GLU 109 Ca 0.50 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1wgj h GLU 109 Cb 0.89 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1wgj h GLU 109 CO -0.50 0.64 -0.97 0.25 -1.40 0.00 0.00 179.01 177.03 1wgj n THR 110 N -4.58 0.00 -2.85 1.13 -2.24 -1.09 -4.97 114.28 99.68 1wgj n THR 110 Ca 0.04 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 1wgj n THR 110 Cb 0.08 0.67 0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1wgj n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wgj n LYS 111 N -1.55 -3.92 -3.98 -0.78 4.76 0.23 -4.99 118.16 107.93 1wgj n LYS 111 Ca 0.00 0.77 -0.09 0.00 -2.87 0.00 0.00 58.31 56.12 1wgj n LYS 111 Cb 0.23 -5.31 -0.10 0.00 -1.84 0.00 0.00 35.03 28.01 1wgj n LYS 111 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgj s ALA 112 N -3.06 0.13 0.66 7.82 0.00 -1.23 -4.82 121.76 121.26 1wgj s ALA 112 Ca 0.24 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1wgj s ALA 112 Cb -0.10 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1wgj s ALA 112 CO 0.29 -0.24 1.09 0.14 0.00 0.00 0.00 175.76 177.04 1wgj s VAL 113 N -2.18 3.47 0.87 0.00 -7.23 -1.26 -1.30 120.40 112.77 1wgj s VAL 113 Ca -0.09 0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 60.60 1wgj s VAL 113 Cb -0.04 -3.17 0.11 0.00 0.56 0.00 0.00 36.38 33.84 1wgj s VAL 113 CO -0.03 -0.47 1.09 -0.83 -0.31 0.00 0.00 175.10 174.55 1wgj s GLY 114 N -2.85 1.62 -0.01 2.32 0.00 0.47 -0.89 107.32 107.97 1wgj s GLY 114 Ca 0.64 -0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.35 1wgj s GLY 114 CO 0.43 0.38 1.15 2.09 0.00 0.00 0.00 173.10 177.16 1wgj n ASP 115 N -3.78 1.61 -3.18 1.64 5.75 -1.01 -4.01 116.55 113.57 1wgj n ASP 115 Ca 0.07 -2.05 -0.15 0.00 -0.01 0.00 0.00 54.79 52.65 1wgj n ASP 115 Cb 0.55 -0.24 0.07 0.00 -1.03 0.00 0.00 41.12 40.48 1wgj n ASP 115 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1wgj n ASN 116 N 0.26 -3.91 -3.56 -1.12 5.15 -0.07 -4.99 115.26 107.02 1wgj n ASN 116 Ca 0.09 -0.61 -0.08 0.00 -0.60 0.00 0.00 54.58 53.38 1wgj n ASN 116 Cb 0.28 -4.80 -0.02 0.00 -0.53 0.00 0.00 39.78 34.71 1wgj n ASN 116 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1wgj s ASP 117 N -3.86 -0.35 0.73 1.20 1.01 -1.25 -4.91 116.67 109.24 1wgj s ASP 117 Ca 0.19 -0.12 -0.16 0.00 0.71 0.00 0.00 52.55 53.17 1wgj s ASP 117 Cb -0.02 0.45 0.02 0.00 1.01 0.00 0.00 42.92 44.38 1wgj s ASP 117 CO 0.68 -0.77 1.11 -2.65 0.21 0.00 0.00 175.17 173.75 1wgj n PRO 118 N -0.32 0.56 -2.04 8.23 -0.02 -1.26 -0.54 135.00 139.62 1wgj n PRO 118 Ca -0.09 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 1wgj n PRO 118 Cb 0.62 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1wgj n PRO 118 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1wgj s ILE 119 N -1.80 2.60 0.22 4.25 2.07 -1.26 -4.75 121.20 122.54 1wgj s ILE 119 Ca 0.76 0.50 -0.16 0.00 -1.41 0.00 0.00 60.65 60.33 1wgj s ILE 119 Cb -0.34 -3.27 -0.08 0.00 0.13 0.00 0.00 42.46 38.90 1wgj s ILE 119 CO 0.48 0.04 0.66 -1.81 -1.91 0.00 0.00 174.94 172.40 1wgj s ASP 120 N -0.95 6.89 -0.04 4.50 1.01 -1.24 -1.99 116.67 124.85 1wgj s ASP 120 Ca 0.62 1.25 0.03 0.00 0.71 0.00 0.00 52.55 55.16 1wgj s ASP 120 Cb -0.36 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1wgj s ASP 120 CO 0.45 -0.01 -0.13 -0.69 0.21 0.00 0.00 175.17 175.00 1wgj s VAL 121 N -1.63 1.16 -0.28 -1.27 1.01 -0.72 -0.72 120.40 117.94 1wgj s VAL 121 Ca 0.44 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1wgj s VAL 121 Cb -0.14 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1wgj s VAL 121 CO 0.20 0.35 0.05 -0.76 0.00 0.00 0.00 175.10 174.94 1wgj s LEU 122 N 0.25 3.70 -0.34 3.92 1.43 0.88 -1.89 118.68 126.63 1wgj s LEU 122 Ca -0.06 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 1wgj s LEU 122 Cb -0.12 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1wgj s LEU 122 CO 0.02 -0.17 0.22 -0.70 0.23 0.00 0.00 176.35 175.95 1wgj s GLU 123 N 1.47 3.46 -0.08 1.70 -6.30 0.27 -0.71 118.70 118.50 1wgj s GLU 123 Ca 0.02 -0.67 0.10 0.00 -2.50 0.00 0.00 54.97 51.93 1wgj s GLU 123 Cb -0.17 -3.76 0.44 0.00 0.00 0.00 0.00 34.13 30.64 1wgj s GLU 123 CO 0.01 -0.44 1.27 0.44 0.02 0.00 0.00 175.26 176.56 1wgj n ILE 124 N 5.08 1.18 -1.22 -3.70 -5.35 -0.18 -2.39 119.36 112.78 1wgj n ILE 124 Ca -0.13 -0.72 -0.29 0.00 -0.27 0.00 0.00 62.75 61.34 1wgj n ILE 124 Cb 0.50 -0.09 0.15 0.00 -1.74 0.00 0.00 39.64 38.46 1wgj n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wgj s GLY 125 N -0.69 1.59 0.24 3.28 0.00 -1.26 -4.97 107.32 105.51 1wgj s GLY 125 Ca 0.31 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1wgj s GLY 125 CO 0.14 0.32 1.60 1.05 0.00 0.00 0.00 173.10 176.20 1wgj h GLU 126 N -1.68 0.41 -6.65 2.90 4.11 -1.99 -3.45 114.58 108.24 1wgj h GLU 126 Ca -0.52 -0.23 -0.50 0.00 0.07 0.00 0.00 59.36 58.18 1wgj h GLU 126 Cb 1.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1wgj h GLU 126 CO 0.57 0.80 0.32 0.99 0.07 0.00 0.00 179.01 181.76 1wgj s THR 127 N -4.07 4.25 -0.06 -1.06 2.01 -1.26 -5.01 115.64 110.44 1wgj s THR 127 Ca -0.06 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.66 1wgj s THR 127 Cb 0.12 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1wgj s THR 127 CO 0.81 0.45 1.10 -0.63 -0.69 0.00 0.00 174.62 175.66 1wgj s ILE 128 N -0.82 4.50 0.89 1.82 1.01 -1.26 -4.97 121.20 122.37 1wgj s ILE 128 Ca 0.42 1.80 -0.13 0.00 0.00 0.00 0.00 60.65 62.73 1wgj s ILE 128 Cb -0.25 -4.15 0.16 0.00 0.01 0.00 0.00 42.46 38.23 1wgj s ILE 128 CO 0.30 0.03 1.24 0.00 0.00 0.00 0.00 174.94 176.52 1wgj s ALA 129 N 1.88 2.52 0.14 9.38 0.00 -1.26 -5.01 121.76 129.41 1wgj s ALA 129 Ca 0.53 -1.14 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1wgj s ALA 129 Cb -0.22 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1wgj s ALA 129 CO 0.22 -2.13 -0.21 1.52 0.00 0.00 0.00 175.76 175.16 1wgj s TYR 130 N -3.72 1.93 0.14 0.00 -0.85 -1.26 -4.60 117.35 108.99 1wgj s TYR 130 Ca 0.70 -0.42 -0.31 0.00 -0.52 0.00 0.00 57.07 56.52 1wgj s TYR 130 Cb -0.06 -1.02 -0.10 0.00 0.38 0.00 0.00 41.96 41.17 1wgj s TYR 130 CO 0.51 0.30 1.66 0.99 -1.52 0.00 0.00 175.55 177.48 1wgj s THR 131 N -1.47 2.64 0.00 -3.49 2.01 -1.26 -1.90 115.64 112.17 1wgj s THR 131 Ca 0.12 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1wgj s THR 131 Cb -0.08 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1wgj s THR 131 CO 0.06 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1wgj n GLY 132 N 3.94 0.73 3.74 4.40 0.00 0.40 -5.02 105.19 113.39 1wgj n GLY 132 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1wgj n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wgj s GLN 133 N -0.61 4.49 -0.34 1.61 0.74 -0.80 -4.77 119.66 119.98 1wgj s GLN 133 Ca 0.00 1.89 -0.10 0.00 0.05 0.00 0.00 55.36 57.20 1wgj s GLN 133 Cb 0.00 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.89 1wgj s GLN 133 CO 0.00 -0.09 0.17 0.08 -0.55 0.00 0.00 175.29 174.91 1wgj s VAL 134 N -0.12 4.58 0.15 1.34 1.01 -1.26 -0.57 120.40 125.52 1wgj s VAL 134 Ca 0.53 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.01 1wgj s VAL 134 Cb -0.33 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1wgj s VAL 134 CO 0.37 -0.06 -0.26 -1.59 0.00 0.00 0.00 175.10 173.57 1wgj s LYS 135 N 1.59 1.43 -0.14 2.72 -2.85 -0.23 -4.92 119.74 117.33 1wgj s LYS 135 Ca 0.03 -1.40 -0.17 0.00 -1.00 0.00 0.00 55.97 53.43 1wgj s LYS 135 Cb -0.18 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1wgj s LYS 135 CO 0.06 0.43 0.43 -0.65 0.10 0.00 0.00 175.35 175.72 1wgj s GLN 136 N -2.26 4.29 0.10 1.78 1.11 -1.26 -0.46 119.66 122.97 1wgj s GLN 136 Ca 0.16 0.34 0.01 0.00 0.01 0.00 0.00 55.36 55.88 1wgj s GLN 136 Cb -0.09 -3.45 -0.04 0.00 -1.01 0.00 0.00 33.01 28.41 1wgj s GLN 136 CO 0.07 0.13 -0.04 0.14 0.01 0.00 0.00 175.29 175.60 1wgj s VAL 137 N 0.74 0.58 0.02 1.09 -7.23 -0.49 -1.28 120.40 113.83 1wgj s VAL 137 Ca 0.23 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1wgj s VAL 137 Cb -0.15 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1wgj s VAL 137 CO 0.08 -0.82 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.39 1wgj s LYS 138 N -3.87 2.47 -0.03 4.82 -2.85 -0.24 -1.38 119.74 118.65 1wgj s LYS 138 Ca 0.13 -0.78 -0.23 0.00 -1.00 0.00 0.00 55.97 54.10 1wgj s LYS 138 Cb 0.06 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 33.33 1wgj s LYS 138 CO -0.04 0.58 0.68 0.00 0.10 0.00 0.00 175.35 176.68 1wgj s ALA 139 N -1.03 3.38 -0.09 0.59 0.00 -1.26 -1.90 121.76 121.45 1wgj s ALA 139 Ca 0.18 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.38 1wgj s ALA 139 Cb -0.11 -2.91 -0.15 0.00 0.00 0.00 0.00 23.12 19.95 1wgj s ALA 139 CO 0.09 -0.01 0.09 1.28 0.00 0.00 0.00 175.76 177.21 1wgj n LEU 140 N 3.34 0.00 0.00 0.00 4.77 0.23 -4.82 117.00 120.52 1wgj n LEU 140 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1wgj n LEU 140 Cb 0.51 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1wgj n LEU 140 CO 0.46 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1wgj n GLY 141 N 2.19 -1.25 3.43 -0.72 0.00 -1.13 -1.29 105.19 106.42 1wgj n GLY 141 Ca -0.14 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 1wgj n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wgj s ILE 142 N -2.88 0.01 -0.05 -0.61 2.07 -0.80 -0.28 121.20 118.65 1wgj s ILE 142 Ca 0.00 -0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.20 1wgj s ILE 142 Cb 0.00 -0.80 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 1wgj s ILE 142 CO 0.00 -0.05 -0.23 -0.04 -1.91 0.00 0.00 174.94 172.71 1wgj s MET 143 N -0.39 2.48 -1.20 3.50 -1.94 -0.04 -0.41 119.30 121.30 1wgj s MET 143 Ca -0.05 -0.87 -0.13 0.00 -1.71 0.00 0.00 55.69 52.93 1wgj s MET 143 Cb -0.03 -2.19 0.19 0.00 2.01 0.00 0.00 34.83 34.81 1wgj s MET 143 CO 0.04 0.45 1.40 0.00 -0.01 0.00 0.00 175.02 176.90 1wgj n ALA 144 N 2.76 4.02 -2.33 3.03 0.00 -1.26 -0.94 120.51 125.80 1wgj n ALA 144 Ca -0.17 -4.33 -0.41 0.00 0.00 0.00 0.00 53.44 48.53 1wgj n ALA 144 Cb 0.52 -2.94 -0.04 0.00 0.00 0.00 0.00 19.45 16.99 1wgj n ALA 144 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wgj s LEU 145 N 0.94 4.48 -0.57 0.00 2.96 -1.25 -1.28 118.68 123.96 1wgj s LEU 145 Ca 0.41 1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 55.98 1wgj s LEU 145 Cb -0.03 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.23 1wgj s LEU 145 CO -0.01 -0.09 0.45 -0.76 -1.32 0.00 0.00 176.35 174.62 1wgj s LEU 146 N 0.13 5.88 -0.42 -0.68 1.43 0.39 -0.61 118.68 124.80 1wgj s LEU 146 Ca 0.47 -2.19 -0.22 0.00 -1.03 0.00 0.00 54.13 51.16 1wgj s LEU 146 Cb -0.23 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1wgj s LEU 146 CO 0.29 -0.64 0.74 -0.62 0.23 0.00 0.00 176.35 176.36 1wgj s ASP 147 N 2.38 6.43 -1.54 2.29 2.15 -0.12 -3.04 116.67 125.22 1wgj s ASP 147 Ca 0.09 -0.02 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 1wgj s ASP 147 Cb -0.23 -2.37 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1wgj s ASP 147 CO -0.02 -0.82 0.80 -0.62 -0.17 0.00 0.00 175.17 174.34 1wgj n GLU 148 N 6.51 -4.38 -0.98 4.34 1.02 -1.26 -1.15 120.64 124.73 1wgj n GLU 148 Ca 0.01 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1wgj n GLU 148 Cb 0.48 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.72 1wgj n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wgj n GLY 149 N -1.64 0.71 3.62 0.62 0.00 -1.26 -5.04 105.19 102.19 1wgj n GLY 149 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1wgj n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgj s GLU 150 N -0.13 2.50 0.00 1.61 2.02 -0.30 -4.66 118.70 119.74 1wgj s GLU 150 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 1wgj s GLU 150 Cb 0.00 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.65 1wgj s GLU 150 CO 0.00 0.58 1.99 2.41 0.02 0.00 0.00 175.26 180.26 1wgj n THR 151 N 1.22 0.72 -3.13 3.63 -1.04 -0.07 -0.94 114.28 114.68 1wgj n THR 151 Ca -0.14 -0.16 -0.17 0.00 -2.04 0.00 0.00 64.05 61.53 1wgj n THR 151 Cb 0.52 -2.31 -0.02 0.00 -1.82 0.00 0.00 70.33 66.71 1wgj n THR 151 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1wgj n ASP 152 N 7.84 0.30 -4.50 8.00 2.03 0.22 -2.39 116.55 128.05 1wgj n ASP 152 Ca 0.21 -3.06 -0.42 0.00 0.52 0.00 0.00 54.79 52.04 1wgj n ASP 152 Cb 0.40 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1wgj n ASP 152 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1wgj n TRP 153 N 0.46 0.04 -3.97 -0.67 7.02 -1.26 -3.84 117.44 115.23 1wgj n TRP 153 Ca 0.22 0.63 -0.30 0.00 -1.02 0.00 0.00 57.50 57.02 1wgj n TRP 153 Cb 0.65 -2.07 -0.16 0.00 -2.42 0.00 0.00 31.31 27.32 1wgj n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wgj s LYS 154 N -1.64 1.81 -0.00 -0.99 -0.14 -0.11 -3.64 119.74 115.02 1wgj s LYS 154 Ca 0.63 -0.96 -0.26 0.00 -1.36 0.00 0.00 55.97 54.02 1wgj s LYS 154 Cb -0.62 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 1wgj s LYS 154 CO 0.58 -0.53 0.82 0.08 -0.76 0.00 0.00 175.35 175.53 1wgj s VAL 155 N 1.38 4.87 -0.16 3.17 1.01 0.10 -0.86 120.40 129.90 1wgj s VAL 155 Ca -0.04 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 1wgj s VAL 155 Cb -0.18 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1wgj s VAL 155 CO -0.07 0.26 0.47 -0.63 0.00 0.00 0.00 175.10 175.13 1wgj s ILE 156 N 0.56 5.17 0.22 2.22 1.09 0.61 -0.08 121.20 130.99 1wgj s ILE 156 Ca 0.43 0.89 -0.07 0.00 -1.10 0.00 0.00 60.65 60.80 1wgj s ILE 156 Cb -0.20 -3.80 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1wgj s ILE 156 CO 0.23 0.26 0.31 0.00 -0.10 0.00 0.00 174.94 175.64 1wgj s ALA 157 N 1.11 0.45 -0.03 9.38 0.00 0.11 -0.60 121.76 132.19 1wgj s ALA 157 Ca 0.24 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1wgj s ALA 157 Cb -0.15 1.22 0.01 0.00 0.00 0.00 0.00 23.12 24.20 1wgj s ALA 157 CO 0.09 -0.72 0.07 -1.50 0.00 0.00 0.00 175.76 173.70 1wgj s ILE 158 N -4.09 -0.00 0.15 0.00 2.07 -0.80 -1.01 121.20 117.52 1wgj s ILE 158 Ca 0.30 0.02 -0.33 0.00 -1.41 0.00 0.00 60.65 59.24 1wgj s ILE 158 Cb 0.03 -0.10 -0.12 0.00 0.13 0.00 0.00 42.46 42.40 1wgj s ILE 158 CO 0.10 0.01 1.73 -0.67 -1.91 0.00 0.00 174.94 174.20 1wgj n ASP 159 N 3.14 3.70 0.07 4.50 -0.08 -1.26 -1.08 116.55 125.54 1wgj n ASP 159 Ca -0.13 1.04 0.07 0.00 -1.51 0.00 0.00 54.79 54.25 1wgj n ASP 159 Cb 0.59 -1.51 0.31 0.00 2.34 0.00 0.00 41.12 42.85 1wgj n ASP 159 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wgj n ILE 160 N 4.10 1.34 1.13 5.18 -5.35 -0.41 -1.02 119.36 124.34 1wgj n ILE 160 Ca 0.17 0.48 0.12 0.00 -0.27 0.00 0.00 62.75 63.26 1wgj n ILE 160 Cb 0.33 -1.42 0.26 0.00 -1.74 0.00 0.00 39.64 37.07 1wgj n ILE 160 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1wgj n ASN 161 N -1.85 1.04 -4.77 7.28 5.03 -1.26 -4.83 115.26 115.91 1wgj n ASN 161 Ca 0.01 -0.83 -0.39 0.00 0.87 0.00 0.00 54.58 54.24 1wgj n ASN 161 Cb 0.08 0.28 -0.01 0.00 -1.02 0.00 0.00 39.78 39.11 1wgj n ASN 161 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wgj s ASP 162 N -2.66 6.27 0.60 6.41 -1.08 -0.18 -4.90 116.67 121.13 1wgj s ASP 162 Ca 0.19 2.55 0.30 0.00 -0.52 0.00 0.00 52.55 55.07 1wgj s ASP 162 Cb 0.18 -2.63 1.68 0.00 -1.46 0.00 0.00 42.92 40.69 1wgj s ASP 162 CO 0.60 -0.87 2.07 -0.65 0.52 0.00 0.00 175.17 176.84 1wgj h PRO 163 N 2.51 0.00 -0.02 4.34 0.11 -1.91 -1.50 132.00 135.53 1wgj h PRO 163 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wgj h PRO 163 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wgj h PRO 163 CO 0.62 0.00 -0.35 1.28 -0.21 0.00 0.00 178.00 179.34 1wgj n LEU 164 N -3.66 2.20 -0.25 2.35 4.77 -1.26 -4.61 117.00 116.54 1wgj n LEU 164 Ca 0.02 -0.78 0.05 0.00 -0.03 0.00 0.00 56.01 55.27 1wgj n LEU 164 Cb 0.36 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 1wgj n LEU 164 CO 0.26 0.40 0.90 0.00 -1.33 0.00 0.00 177.39 177.61 1wgj h ALA 165 N 4.08 0.90 -0.31 -1.18 0.00 -1.54 -0.72 119.26 120.48 1wgj h ALA 165 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1wgj h ALA 165 Cb 0.80 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1wgj h ALA 165 CO 0.00 -0.37 0.22 -1.35 0.00 0.00 0.00 179.25 177.75 1wgj h PRO 166 N 0.22 0.11 0.00 0.00 0.11 -1.81 -1.84 132.00 128.79 1wgj h PRO 166 Ca 0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1wgj h PRO 166 Cb 0.71 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1wgj h PRO 166 CO -0.55 0.07 -0.45 0.87 -0.21 0.00 0.00 178.00 177.74 1wgj h LYS 167 N 0.11 0.00 -4.69 1.05 1.57 -1.47 -3.43 116.57 109.72 1wgj h LYS 167 Ca 0.14 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.24 1wgj h LYS 167 Cb 0.43 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.53 1wgj h LYS 167 CO -0.02 0.00 -0.50 -0.51 -0.57 0.00 0.00 179.45 177.85 1wgj s LEU 168 N -5.25 4.51 0.00 2.94 1.43 -0.69 -4.90 118.68 116.72 1wgj s LEU 168 Ca 0.05 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1wgj s LEU 168 Cb 0.09 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1wgj s LEU 168 CO 0.71 -0.27 0.00 0.59 0.23 0.00 0.00 176.35 177.60 1wgj n ASN 169 N 5.06 3.16 -3.98 2.29 3.02 -1.26 -4.91 115.26 118.64 1wgj n ASN 169 Ca -0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.33 1wgj n ASN 169 Cb 0.49 0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 40.22 1wgj n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wgj s ASP 170 N -1.30 -0.08 0.33 6.41 -1.08 -1.26 -4.86 116.67 114.82 1wgj s ASP 170 Ca 0.00 -0.91 0.11 0.00 -0.52 0.00 0.00 52.55 51.24 1wgj s ASP 170 Cb 0.00 0.56 0.95 0.00 -1.46 0.00 0.00 42.92 42.98 1wgj s ASP 170 CO 0.00 -1.10 1.71 -0.29 0.52 0.00 0.00 175.17 176.01 1wgj h ILE 171 N 2.29 0.47 -0.21 4.11 6.09 -1.51 -1.01 117.51 127.74 1wgj h ILE 171 Ca -0.27 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 63.06 1wgj h ILE 171 Cb 1.25 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 1wgj h ILE 171 CO 0.37 0.09 0.14 -0.33 -3.07 0.00 0.00 178.15 175.36 1wgj h GLU 172 N 0.51 0.22 0.00 2.19 3.07 -1.96 -1.13 114.58 117.47 1wgj h GLU 172 Ca 0.67 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.49 1wgj h GLU 172 Cb 1.36 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1wgj h GLU 172 CO -0.50 0.15 -0.09 -0.44 -1.40 0.00 0.00 179.01 176.73 1wgj h ASP 173 N 0.23 0.00 -0.35 1.42 3.32 -1.54 -2.90 116.42 116.60 1wgj h ASP 173 Ca 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1wgj h ASP 173 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1wgj h ASP 173 CO -0.02 0.09 -0.03 0.58 -1.72 0.00 0.00 179.24 178.14 1wgj h VAL 174 N 0.00 1.27 0.00 -1.35 2.07 -1.32 -1.84 116.25 115.08 1wgj h VAL 174 Ca -0.00 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 1wgj h VAL 174 Cb 0.45 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1wgj h VAL 174 CO 0.01 0.34 -0.35 -0.08 0.02 0.00 0.00 177.57 177.52 1wgj h GLU 175 N 0.44 0.00 -0.12 1.57 4.57 -1.64 0.42 114.58 119.81 1wgj h GLU 175 Ca 0.10 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 1wgj h GLU 175 Cb 0.50 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1wgj h GLU 175 CO 0.02 0.35 -0.67 -0.22 -1.18 0.00 0.00 179.01 177.31 1wgj h LYS 176 N 0.00 0.49 0.00 1.92 3.64 -1.30 -3.00 116.57 118.31 1wgj h LYS 176 Ca -0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1wgj h LYS 176 Cb 0.88 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1wgj h LYS 176 CO 0.05 0.99 -1.32 0.66 -2.27 0.00 0.00 179.45 177.55 1wgj n TYR 177 N -3.89 0.00 -2.85 1.91 4.01 -0.71 -4.68 117.16 110.94 1wgj n TYR 177 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 1wgj n TYR 177 Cb 0.67 -0.21 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1wgj n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wgj n PHE 178 N -1.77 2.03 -1.61 -0.72 3.72 0.15 -5.09 117.46 114.16 1wgj n PHE 178 Ca -0.01 -3.46 -0.50 0.00 -0.05 0.00 0.00 57.45 53.43 1wgj n PHE 178 Cb 0.29 -0.36 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 1wgj n PHE 178 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1wgj n PRO 179 N -0.09 1.44 0.00 -1.08 -0.04 -1.13 -1.49 135.00 132.61 1wgj n PRO 179 Ca 0.25 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1wgj n PRO 179 Cb 0.63 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1wgj n PRO 179 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wgj n GLY 180 N 2.67 2.70 0.26 0.55 0.00 -1.26 -4.92 105.19 105.20 1wgj n GLY 180 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1wgj n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wgj h LEU 181 N 0.00 0.77 -0.50 0.99 5.85 -1.60 -1.81 115.31 119.01 1wgj h LEU 181 Ca 0.00 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1wgj h LEU 181 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1wgj h LEU 181 CO 0.00 0.58 0.11 -0.07 -0.34 0.00 0.00 178.44 178.72 1wgj h LEU 182 N 0.88 0.76 -0.94 2.25 3.38 -1.91 0.22 115.31 119.95 1wgj h LEU 182 Ca 0.24 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wgj h LEU 182 Cb -0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1wgj h LEU 182 CO -0.05 0.80 0.19 -0.09 0.09 0.00 0.00 178.44 179.38 1wgj h ARG 183 N 0.68 0.96 -0.16 1.13 2.43 -1.92 0.01 114.38 117.51 1wgj h ARG 183 Ca 0.15 -0.19 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1wgj h ARG 183 Cb 0.35 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1wgj h ARG 183 CO 0.00 0.83 -0.53 0.00 -1.51 0.00 0.00 179.97 178.76 1wgj h ALA 184 N 1.27 0.77 -0.48 2.80 0.00 -1.04 -1.52 119.26 121.08 1wgj h ALA 184 Ca 0.21 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1wgj h ALA 184 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wgj h ALA 184 CO -0.01 0.68 0.00 1.15 0.00 0.00 0.00 179.25 181.08 1wgj h THR 185 N 0.37 1.26 -0.41 0.00 2.02 0.08 0.38 112.91 116.61 1wgj h THR 185 Ca 0.01 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1wgj h THR 185 Cb 1.05 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1wgj h THR 185 CO 0.10 0.37 0.24 -1.13 0.37 0.00 0.00 175.52 175.47 1wgj h ASN 186 N 0.70 0.50 -0.32 4.18 -0.73 -0.77 -2.60 115.58 116.54 1wgj h ASN 186 Ca 0.14 -0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.17 1wgj h ASN 186 Cb 0.51 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1wgj h ASN 186 CO 0.02 0.41 -0.09 -0.08 -0.37 0.00 0.00 177.43 177.32 1wgj h GLU 187 N 0.54 0.62 0.07 6.67 4.81 -1.13 -2.78 114.58 123.39 1wgj h GLU 187 Ca 0.15 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1wgj h GLU 187 Cb 0.01 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1wgj h GLU 187 CO -0.03 0.81 -0.27 2.35 -0.73 0.00 0.00 179.01 181.15 1wgj h TRP 188 N 0.39 -0.73 0.00 0.92 7.01 -0.80 -1.82 115.95 120.92 1wgj h TRP 188 Ca 0.08 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1wgj h TRP 188 Cb 0.59 0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.97 1wgj h TRP 188 CO 0.05 -0.37 -0.02 0.74 -2.79 0.00 0.00 178.44 176.05 1wgj h PHE 189 N -0.45 0.00 0.01 2.65 0.04 -1.51 0.06 116.94 117.73 1wgj h PHE 189 Ca 0.04 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.57 1wgj h PHE 189 Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.66 1wgj h PHE 189 CO -0.27 0.02 -0.99 0.00 -0.60 0.00 0.00 178.31 176.47 1wgj h ARG 190 N 0.00 0.50 0.00 1.51 3.08 -1.10 -3.40 114.38 114.97 1wgj h ARG 190 Ca -0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1wgj h ARG 190 Cb 0.41 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1wgj h ARG 190 CO 0.00 1.18 -0.77 0.44 -1.07 0.00 0.00 179.97 179.76 1wgj n ILE 191 N -3.77 0.00 0.29 2.04 -5.35 -0.75 -1.16 119.36 110.66 1wgj n ILE 191 Ca -0.08 -0.25 0.16 0.00 -0.27 0.00 0.00 62.75 62.31 1wgj n ILE 191 Cb 0.86 0.80 0.82 0.00 -1.74 0.00 0.00 39.64 40.38 1wgj n ILE 191 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 1wgj h TYR 192 N 0.00 0.00 -0.04 4.28 -0.00 -1.20 -1.41 116.97 118.60 1wgj h TYR 192 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1wgj h TYR 192 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.05 1wgj h TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1wgj n LYS 193 N -3.06 1.34 -0.32 0.10 5.02 -1.26 -4.43 118.16 115.55 1wgj n LYS 193 Ca -0.00 -1.51 -0.02 0.00 -2.02 0.00 0.00 58.31 54.75 1wgj n LYS 193 Cb 0.41 -1.32 0.14 0.00 -0.02 0.00 0.00 35.03 34.24 1wgj n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wgj h ILE 194 N 3.24 1.24 0.00 -0.18 2.04 -1.40 0.84 117.51 123.29 1wgj h ILE 194 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1wgj h ILE 194 Cb 0.69 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1wgj h ILE 194 CO 0.00 0.25 0.00 -2.65 0.00 0.00 0.00 178.15 175.75 1wgj n PRO 195 N -4.37 0.12 -0.08 2.37 -0.02 -1.26 -1.27 135.00 130.49 1wgj n PRO 195 Ca 0.10 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1wgj n PRO 195 Cb 0.05 -1.80 0.31 0.00 -0.02 0.00 0.00 33.50 32.04 1wgj n PRO 195 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1wgj n ASP 196 N -2.04 2.33 0.00 2.55 8.00 0.24 -4.92 116.55 122.71 1wgj n ASP 196 Ca 0.01 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1wgj n ASP 196 Cb 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1wgj n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgj n GLY 197 N 1.28 0.65 3.86 0.44 0.00 -0.40 -5.07 105.19 105.95 1wgj n GLY 197 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1wgj n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgj s LYS 198 N -0.75 3.81 0.54 1.61 -0.14 -0.93 -5.00 119.74 118.88 1wgj s LYS 198 Ca 0.00 0.71 -0.14 0.00 -1.36 0.00 0.00 55.97 55.19 1wgj s LYS 198 Cb 0.00 -2.23 -0.06 0.00 -1.68 0.00 0.00 37.83 33.86 1wgj s LYS 198 CO 0.00 -0.23 0.98 -1.25 -0.76 0.00 0.00 175.35 174.09 1wgj s PRO 199 N -4.21 3.80 0.41 -1.68 0.04 -1.26 -4.11 135.00 128.00 1wgj s PRO 199 Ca 0.55 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1wgj s PRO 199 Cb -0.10 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1wgj s PRO 199 CO 0.36 -0.36 1.34 -1.91 0.04 0.00 0.00 177.00 176.47 1wgj n GLU 200 N -1.99 2.13 -1.83 4.56 2.13 -1.26 -4.80 120.64 119.58 1wgj n GLU 200 Ca 0.06 0.75 -0.29 0.00 0.66 0.00 0.00 57.16 58.34 1wgj n GLU 200 Cb 0.54 -2.47 0.08 0.00 0.27 0.00 0.00 31.44 29.86 1wgj n GLU 200 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1wgj s ASN 201 N -0.43 4.66 0.23 4.31 0.01 -0.31 -4.95 114.94 118.46 1wgj s ASN 201 Ca 0.59 0.94 0.05 0.00 -0.71 0.00 0.00 52.86 53.73 1wgj s ASN 201 Cb -0.50 -1.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 1wgj s ASN 201 CO 0.59 -1.82 -0.04 -1.10 -1.51 0.00 0.00 177.10 173.23 1wgj s GLN 202 N -5.45 1.36 0.01 -0.60 1.11 -1.17 -4.76 119.66 110.16 1wgj s GLN 202 Ca 0.61 -1.68 0.05 0.00 0.01 0.00 0.00 55.36 54.35 1wgj s GLN 202 Cb -0.12 -0.78 -0.01 0.00 -1.01 0.00 0.00 33.01 31.09 1wgj s GLN 202 CO 0.51 -0.03 -0.14 -0.06 0.01 0.00 0.00 175.29 175.58 1wgj s PHE 203 N -3.28 1.26 0.82 0.91 0.40 -1.26 -0.46 117.98 116.37 1wgj s PHE 203 Ca 0.27 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1wgj s PHE 203 Cb 0.04 -0.79 0.10 0.00 0.51 0.00 0.00 43.02 42.89 1wgj s PHE 203 CO 0.08 0.00 1.18 0.00 0.70 0.00 0.00 175.22 177.19 1wgj s ALA 204 N -0.51 2.66 -1.84 5.36 0.00 -0.41 -3.98 121.76 123.04 1wgj s ALA 204 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1wgj s ALA 204 Cb -0.06 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1wgj s ALA 204 CO 0.00 -1.77 0.00 1.19 0.00 0.00 0.00 175.76 175.18 1wgj n PHE 205 N -3.34 -0.72 -2.13 0.00 3.72 -1.26 -1.46 117.46 112.26 1wgj n PHE 205 Ca 0.10 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.30 1wgj n PHE 205 Cb 0.61 -3.70 -0.03 0.00 -0.94 0.00 0.00 39.48 35.42 1wgj n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wgj n SER 206 N -1.76 -5.60 -0.39 4.37 7.64 -1.26 -1.78 113.62 114.85 1wgj n SER 206 Ca -0.23 0.14 -0.05 0.00 1.01 0.00 0.00 58.87 59.74 1wgj n SER 206 Cb 0.67 -4.70 -0.02 0.00 -1.01 0.00 0.00 64.21 59.15 1wgj n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgj n GLY 207 N -0.87 0.73 3.77 0.23 0.00 -0.54 -5.00 105.19 103.52 1wgj n GLY 207 Ca -0.23 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1wgj n GLY 207 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgj s GLU 208 N -1.93 4.53 -0.22 1.61 -1.05 -0.73 -4.97 118.70 115.94 1wgj s GLU 208 Ca 0.00 1.46 -0.24 0.00 -0.15 0.00 0.00 54.97 56.04 1wgj s GLU 208 Cb 0.00 -2.86 -0.01 0.00 -0.44 0.00 0.00 34.13 30.82 1wgj s GLU 208 CO 0.00 0.21 0.80 0.00 0.95 0.00 0.00 175.26 177.21 1wgj s ALA 209 N -1.50 3.60 0.72 -0.84 0.00 -1.26 -4.57 121.76 117.91 1wgj s ALA 209 Ca 0.50 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1wgj s ALA 209 Cb -0.22 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1wgj s ALA 209 CO 0.28 -0.81 1.08 0.15 0.00 0.00 0.00 175.76 176.46 1wgj s LYS 210 N 2.54 2.74 1.01 0.00 -0.14 0.45 -4.83 119.74 121.49 1wgj s LYS 210 Ca 0.34 0.71 -0.17 0.00 -1.36 0.00 0.00 55.97 55.50 1wgj s LYS 210 Cb -0.16 -1.99 0.22 0.00 -1.68 0.00 0.00 37.83 34.23 1wgj s LYS 210 CO 0.09 -1.18 1.32 0.54 -0.76 0.00 0.00 175.35 175.36 1wgj s ASN 211 N -4.01 2.72 0.17 2.83 2.20 -1.26 -1.91 114.94 115.68 1wgj s ASN 211 Ca 0.58 0.25 -0.14 0.00 -0.94 0.00 0.00 52.86 52.61 1wgj s ASN 211 Cb -0.13 -0.26 0.13 0.00 -2.00 0.00 0.00 41.25 38.99 1wgj s ASN 211 CO 0.54 -2.98 1.74 0.50 -2.94 0.00 0.00 177.10 173.96 1wgj h LYS 212 N -1.81 0.27 -0.37 3.55 3.64 -1.83 -1.18 116.57 118.83 1wgj h LYS 212 Ca -0.44 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1wgj h LYS 212 Cb 1.23 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1wgj h LYS 212 CO 0.34 0.18 0.01 -0.22 -2.27 0.00 0.00 179.45 177.49 1wgj h LYS 213 N 0.27 0.11 -0.53 1.90 3.11 -1.94 0.49 116.57 119.99 1wgj h LYS 213 Ca 0.21 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1wgj h LYS 213 Cb 0.23 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 1wgj h LYS 213 CO -0.24 0.07 0.31 -0.92 -2.81 0.00 0.00 179.45 175.86 1wgj h TYR 214 N 0.11 0.70 -0.66 1.91 5.03 -1.82 -2.48 116.97 119.76 1wgj h TYR 214 Ca 0.18 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1wgj h TYR 214 Cb 0.25 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 1wgj h TYR 214 CO -0.25 0.49 0.39 0.00 -1.32 0.00 0.00 178.16 177.48 1wgj h ALA 215 N 1.15 0.84 -0.91 1.82 0.00 -0.29 -2.16 119.26 119.71 1wgj h ALA 215 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1wgj h ALA 215 Cb 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1wgj h ALA 215 CO -0.03 0.32 0.60 -0.07 0.00 0.00 0.00 179.25 180.07 1wgj h LEU 216 N 0.90 1.00 -0.53 0.00 3.38 -0.62 0.38 115.31 119.82 1wgj h LEU 216 Ca 0.24 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1wgj h LEU 216 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1wgj h LEU 216 CO -0.04 0.69 0.10 0.44 0.09 0.00 0.00 178.44 179.72 1wgj h ASP 217 N 1.16 0.82 -0.39 -0.43 3.32 -0.96 -1.51 116.42 118.43 1wgj h ASP 217 Ca 0.36 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 1wgj h ASP 217 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1wgj h ASP 217 CO -0.10 0.86 -0.27 0.40 -1.72 0.00 0.00 179.24 178.41 1wgj h ILE 218 N 0.75 1.28 -0.63 0.35 1.08 -0.95 -1.99 117.51 117.39 1wgj h ILE 218 Ca 0.16 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.19 1wgj h ILE 218 Cb 0.38 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 1wgj h ILE 218 CO 0.01 0.48 0.33 0.40 -0.69 0.00 0.00 178.15 178.67 1wgj h ILE 219 N 0.68 1.21 -0.54 -0.67 2.04 -0.82 -1.39 117.51 118.02 1wgj h ILE 219 Ca 0.08 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1wgj h ILE 219 Cb 0.84 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1wgj h ILE 219 CO 0.07 0.23 0.32 0.11 0.00 0.00 0.00 178.15 178.89 1wgj h LYS 220 N 0.87 0.62 -0.07 2.37 1.57 -1.12 0.81 116.57 121.63 1wgj h LYS 220 Ca 0.22 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1wgj h LYS 220 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1wgj h LYS 220 CO -0.03 0.41 -0.34 1.05 -0.57 0.00 0.00 179.45 179.97 1wgj h GLU 221 N 0.64 0.13 0.00 3.15 4.11 -0.75 -0.31 114.58 121.55 1wgj h GLU 221 Ca 0.22 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.48 1wgj h GLU 221 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1wgj h GLU 221 CO -0.10 0.45 -0.57 1.79 0.07 0.00 0.00 179.01 180.65 1wgj h THR 222 N 0.11 1.16 -0.21 -1.06 1.35 -0.39 -2.14 112.91 111.73 1wgj h THR 222 Ca 0.01 -2.14 -0.16 0.00 -0.55 0.00 0.00 66.41 63.58 1wgj h THR 222 Cb 0.65 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1wgj h THR 222 CO 0.05 0.56 -0.53 -0.74 -0.25 0.00 0.00 175.52 174.60 1wgj h HIS 223 N 0.00 0.76 -0.02 4.73 -0.00 -0.01 -0.97 115.15 119.64 1wgj h HIS 223 Ca -0.01 -0.26 -0.11 0.00 -0.00 0.00 0.00 60.37 59.99 1wgj h HIS 223 Cb 1.19 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 28.44 1wgj h HIS 223 CO 0.00 1.01 -0.52 -0.44 -0.00 0.00 0.00 177.93 177.97 1wgj h ASP 224 N 0.47 0.05 -0.33 3.26 3.32 -0.85 -1.70 116.42 120.64 1wgj h ASP 224 Ca 0.01 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1wgj h ASP 224 Cb 1.08 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1wgj h ASP 224 CO 0.10 0.56 -0.12 0.28 -1.72 0.00 0.00 179.24 178.35 1wgj h SER 225 N 0.03 0.68 -0.70 6.45 0.02 -1.21 -2.61 113.55 116.22 1wgj h SER 225 Ca -0.00 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1wgj h SER 225 Cb 0.94 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1wgj h SER 225 CO 0.07 0.92 0.25 -0.25 -1.14 0.00 0.00 176.83 176.67 1wgj h TRP 226 N 0.45 1.12 -0.77 3.45 7.01 -1.22 -1.88 115.95 124.11 1wgj h TRP 226 Ca 0.08 -0.10 0.06 0.00 2.11 0.00 0.00 58.89 61.04 1wgj h TRP 226 Cb 0.64 -0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 1wgj h TRP 226 CO 0.05 0.87 0.50 0.87 -2.79 0.00 0.00 178.44 177.95 1wgj h LYS 227 N 1.06 0.83 -0.15 2.65 1.57 -1.06 0.19 116.57 121.65 1wgj h LYS 227 Ca 0.24 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1wgj h LYS 227 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1wgj h LYS 227 CO -0.01 0.55 -0.12 0.37 -0.57 0.00 0.00 179.45 179.67 1wgj h GLN 228 N 0.85 0.34 0.51 3.15 4.15 -1.13 -2.82 115.11 120.16 1wgj h GLN 228 Ca 0.32 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1wgj h GLN 228 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1wgj h GLN 228 CO -0.11 0.71 -0.26 1.25 -1.93 0.00 0.00 178.83 178.49 1wgj h LEU 229 N -0.02 -0.62 -2.02 -2.39 5.85 -0.50 0.40 115.31 116.01 1wgj h LEU 229 Ca 0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1wgj h LEU 229 Cb 0.63 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wgj h LEU 229 CO 0.03 -0.43 -0.09 -0.29 -0.34 0.00 0.00 178.44 177.32 1wgj h ILE 230 N -0.70 0.66 0.00 4.05 6.09 -0.75 -1.48 117.51 125.37 1wgj h ILE 230 Ca -0.07 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1wgj h ILE 230 Cb 0.55 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1wgj h ILE 230 CO 0.11 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.28 1wgj h ALA 231 N 1.91 1.00 0.00 0.18 0.00 -1.32 -3.41 119.26 117.61 1wgj h ALA 231 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wgj h ALA 231 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wgj h ALA 231 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1wgj n GLY 232 N 0.52 0.68 1.29 0.00 0.00 -0.56 -4.66 105.19 102.47 1wgj n GLY 232 Ca 0.02 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1wgj n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wgj n LYS 233 N -2.52 3.13 -2.96 1.61 5.02 0.11 -4.97 118.16 117.59 1wgj n LYS 233 Ca 0.00 -2.65 -0.35 0.00 -2.02 0.00 0.00 58.31 53.29 1wgj n LYS 233 Cb 0.00 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.30 1wgj n LYS 233 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wgj s SER 234 N -1.02 7.06 0.52 4.39 0.15 -1.21 -4.87 113.70 118.72 1wgj s SER 234 Ca 0.45 1.57 0.34 0.00 0.70 0.00 0.00 55.95 59.01 1wgj s SER 234 Cb 0.26 -2.48 1.52 0.00 -1.71 0.00 0.00 66.02 63.61 1wgj s SER 234 CO 0.26 -0.13 2.01 0.77 1.20 0.00 0.00 173.24 177.35 1wgj h SER 235 N 2.79 0.00 -0.80 5.45 4.64 -1.96 -3.41 113.55 120.26 1wgj h SER 235 Ca -0.48 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.97 1wgj h SER 235 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 1wgj h SER 235 CO 0.64 0.00 -0.17 -0.62 -0.87 0.00 0.00 176.83 175.82 1wgj s ASP 236 N -5.30 -1.14 0.00 4.97 -1.08 -1.26 -5.03 116.67 107.82 1wgj s ASP 236 Ca 0.00 0.63 0.16 0.00 -0.52 0.00 0.00 52.55 52.83 1wgj s ASP 236 Cb 0.10 1.92 0.76 0.00 -1.46 0.00 0.00 42.92 44.24 1wgj s ASP 236 CO 0.48 -0.21 1.52 -1.54 0.52 0.00 0.00 175.17 175.93 1wgj n SER 237 N 5.43 0.85 -2.75 -0.34 3.41 -1.26 -4.90 113.62 114.06 1wgj n SER 237 Ca -0.02 -1.66 -0.16 0.00 -0.26 0.00 0.00 58.87 56.78 1wgj n SER 237 Cb 0.52 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1wgj n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wgj n LYS 238 N -0.18 -2.76 -1.13 4.33 4.76 -1.26 -1.13 118.16 120.78 1wgj n LYS 238 Ca 0.13 0.56 -0.05 0.00 -2.87 0.00 0.00 58.31 56.08 1wgj n LYS 238 Cb 0.18 -5.20 -0.02 0.00 -1.84 0.00 0.00 35.03 28.15 1wgj n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgj n GLY 239 N -0.95 0.69 3.77 0.72 0.00 -1.26 -4.99 105.19 103.17 1wgj n GLY 239 Ca -0.10 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1wgj n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgj s ILE 240 N -1.96 2.77 -0.41 -0.61 1.01 -0.29 -4.73 121.20 116.99 1wgj s ILE 240 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 60.65 61.15 1wgj s ILE 240 Cb 0.00 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1wgj s ILE 240 CO 0.00 0.18 1.02 -0.62 0.00 0.00 0.00 174.94 175.52 1wgj s ASP 241 N -0.49 6.67 -0.09 3.58 -1.08 -0.04 -4.91 116.67 120.31 1wgj s ASP 241 Ca 0.49 0.52 0.13 0.00 -0.52 0.00 0.00 52.55 53.17 1wgj s ASP 241 Cb -0.39 -2.50 0.52 0.00 -1.46 0.00 0.00 42.92 39.09 1wgj s ASP 241 CO 0.52 -1.03 1.38 0.18 0.52 0.00 0.00 175.17 176.74 1wgj n LEU 242 N 7.21 3.62 -4.76 -1.34 4.77 -1.26 -4.84 117.00 120.41 1wgj n LEU 242 Ca 0.09 -1.83 -0.41 0.00 -0.03 0.00 0.00 56.01 53.83 1wgj n LEU 242 Cb 0.48 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1wgj n LEU 242 CO 0.64 0.60 1.13 -0.89 -1.33 0.00 0.00 177.39 177.54 1wgj s THR 243 N -1.81 2.40 0.09 -5.08 2.01 -1.26 -4.69 115.64 107.30 1wgj s THR 243 Ca 0.37 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.64 1wgj s THR 243 Cb 0.24 -3.23 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 1wgj s THR 243 CO 0.17 0.07 0.18 0.54 -0.69 0.00 0.00 174.62 174.89 1wgj s ASN 244 N 0.18 0.13 0.00 3.53 2.20 -1.17 -4.53 114.94 115.28 1wgj s ASN 244 Ca 0.58 -0.65 0.00 0.00 -0.94 0.00 0.00 52.86 51.85 1wgj s ASN 244 Cb -0.44 0.33 0.00 0.00 -2.00 0.00 0.00 41.25 39.14 1wgj s ASN 244 CO 0.49 -0.72 0.94 1.33 -2.94 0.00 0.00 177.10 176.20 1wgj n VAL 245 N -0.03 0.88 -0.42 3.54 0.24 -1.26 -0.45 118.33 120.83 1wgj n VAL 245 Ca -0.15 -0.88 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 1wgj n VAL 245 Cb 0.62 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 1wgj n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wgj n THR 246 N -0.44 0.13 -3.73 3.34 -2.24 -1.26 -4.72 114.28 105.36 1wgj n THR 246 Ca 0.00 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.15 1wgj n THR 246 Cb 0.28 1.26 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 1wgj n THR 246 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wgj n LEU 247 N -0.07 2.54 -0.33 3.22 4.77 -1.26 -4.96 117.00 120.90 1wgj n LEU 247 Ca 0.00 -5.11 0.20 0.00 -0.03 0.00 0.00 56.01 51.07 1wgj n LEU 247 Cb 0.16 -0.51 0.45 0.00 -2.33 0.00 0.00 43.42 41.20 1wgj n LEU 247 CO 0.00 1.83 1.20 -0.65 -1.33 0.00 0.00 177.39 178.43 1wgj h PRO 248 N 5.20 0.47 0.00 3.23 0.11 -1.96 -0.74 132.00 138.31 1wgj h PRO 248 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1wgj h PRO 248 Cb 0.77 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1wgj h PRO 248 CO 0.68 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1wgj n ASP 249 N -4.73 0.00 -4.88 -2.05 5.75 -1.26 -4.78 116.55 104.60 1wgj n ASP 249 Ca 0.26 0.11 -0.35 0.00 -0.01 0.00 0.00 54.79 54.81 1wgj n ASP 249 Cb 0.82 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 1wgj n ASP 249 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1wgj s THR 250 N -2.62 5.23 0.52 2.12 -4.23 -0.28 -4.99 115.64 111.39 1wgj s THR 250 Ca 0.14 0.26 0.35 0.00 -1.18 0.00 0.00 61.69 61.25 1wgj s THR 250 Cb 0.10 -3.60 0.38 0.00 1.34 0.00 0.00 72.50 70.72 1wgj s THR 250 CO 0.24 0.33 2.22 1.55 -0.54 0.00 0.00 174.62 178.43 1wgj h PRO 251 N 3.87 0.00 -0.69 3.99 0.13 -1.83 -2.44 132.00 135.03 1wgj h PRO 251 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wgj h PRO 251 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wgj h PRO 251 CO 0.66 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.72 1wgj n THR 252 N -3.45 1.35 -2.05 1.56 -2.24 -1.26 -4.95 114.28 103.23 1wgj n THR 252 Ca -0.02 -1.04 -0.41 0.00 -2.27 0.00 0.00 64.05 60.30 1wgj n THR 252 Cb 0.14 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1wgj n THR 252 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1wgj s TYR 253 N -1.43 3.01 -0.31 4.78 5.04 -0.92 -3.06 117.35 124.46 1wgj s TYR 253 Ca 0.49 1.20 0.06 0.00 -2.44 0.00 0.00 57.07 56.37 1wgj s TYR 253 Cb 0.28 -3.77 0.20 0.00 0.35 0.00 0.00 41.96 39.02 1wgj s TYR 253 CO 0.28 -2.33 0.62 0.45 -1.34 0.00 0.00 175.55 173.23 1wgj s SER 254 N 0.00 -1.57 0.56 4.32 0.15 0.41 -4.91 113.70 112.67 1wgj s SER 254 Ca 0.55 -0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.44 1wgj s SER 254 Cb -0.41 1.99 1.63 0.00 -1.71 0.00 0.00 66.02 67.51 1wgj s SER 254 CO 0.48 -0.26 2.21 0.50 1.20 0.00 0.00 173.24 177.37 1wgj h LYS 255 N 7.75 0.00 0.00 5.44 3.64 -1.85 -1.94 116.57 129.62 1wgj h LYS 255 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wgj h LYS 255 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1wgj h LYS 255 CO 0.13 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 1wgj n ALA 256 N -2.39 1.72 0.00 5.00 0.00 -1.26 -3.26 120.51 120.32 1wgj n ALA 256 Ca -0.03 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1wgj n ALA 256 Cb 0.09 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 18.63 1wgj n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgj h ALA 257 N 2.35 1.77 -0.80 0.00 0.00 -1.71 -1.78 119.26 119.09 1wgj h ALA 257 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1wgj h ALA 257 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1wgj h ALA 257 CO 0.00 0.20 0.33 0.77 0.00 0.00 0.00 179.25 180.55 1wgj h SER 258 N 0.51 1.10 1.15 0.00 0.02 -1.78 -2.88 113.55 111.67 1wgj h SER 258 Ca 0.16 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wgj h SER 258 Cb 0.03 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1wgj h SER 258 CO -0.04 0.96 0.00 0.44 -1.14 0.00 0.00 176.83 177.06 1wgj h ASP 259 N 1.16 0.00 1.44 3.07 3.32 -1.54 -3.08 116.42 120.80 1wgj h ASP 259 Ca 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1wgj h ASP 259 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1wgj h ASP 259 CO -0.02 0.00 -0.37 0.00 -1.72 0.00 0.00 179.24 177.13 1wgj h ALA 260 N 2.00 0.80 -2.55 3.45 0.00 -1.29 -3.45 119.26 118.21 1wgj h ALA 260 Ca 0.00 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 1wgj h ALA 260 Cb 0.57 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wgj h ALA 260 CO 0.00 0.46 0.92 0.42 0.00 0.00 0.00 179.25 181.05 1wgj s ILE 261 N -3.15 2.76 0.93 0.00 -1.09 -1.16 -4.98 121.20 114.50 1wgj s ILE 261 Ca 0.04 0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 1wgj s ILE 261 Cb 0.08 -3.29 0.15 0.00 -1.58 0.00 0.00 42.46 37.82 1wgj s ILE 261 CO 0.71 0.02 1.09 -2.16 -1.23 0.00 0.00 174.94 173.38 1wgj s PRO 262 N 1.65 0.96 0.78 2.79 0.04 -1.26 -5.00 135.00 134.95 1wgj s PRO 262 Ca 0.71 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1wgj s PRO 262 Cb -0.42 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1wgj s PRO 262 CO 0.32 -2.51 1.09 -1.25 0.04 0.00 0.00 177.00 174.69 1wgj s PRO 263 N -4.78 2.23 0.38 0.56 0.04 -1.26 -4.96 135.00 127.20 1wgj s PRO 263 Ca 0.65 1.15 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1wgj s PRO 263 Cb -0.20 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1wgj s PRO 263 CO 0.58 -1.66 1.35 0.00 0.04 0.00 0.00 177.00 177.32 1wgj n ALA 264 N -3.53 1.64 -3.14 8.56 0.00 -1.26 -4.88 120.51 117.89 1wgj n ALA 264 Ca 0.09 0.32 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 1wgj n ALA 264 Cb 0.53 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1wgj n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wgj n SER 265 N 0.48 0.76 -4.74 0.00 3.41 0.12 -4.98 113.62 108.67 1wgj n SER 265 Ca 0.04 -3.01 -0.42 0.00 -0.26 0.00 0.00 58.87 55.22 1wgj n SER 265 Cb 0.38 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 1wgj n SER 265 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wgj s LEU 266 N -2.47 4.36 0.18 1.04 2.96 -1.12 -0.80 118.68 122.83 1wgj s LEU 266 Ca 0.39 2.85 0.04 0.00 -0.22 0.00 0.00 54.13 57.19 1wgj s LEU 266 Cb 0.35 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 1wgj s LEU 266 CO -0.07 -0.86 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.49 1wgj s LYS 267 N -0.20 1.15 0.51 1.98 1.02 -1.08 -4.89 119.74 118.23 1wgj s LYS 267 Ca 0.64 -1.53 -0.21 0.00 0.02 0.00 0.00 55.97 54.89 1wgj s LYS 267 Cb -0.46 -0.61 -0.07 0.00 -0.52 0.00 0.00 37.83 36.18 1wgj s LYS 267 CO 0.44 0.01 1.15 0.00 -0.92 0.00 0.00 175.35 176.03 1wgj s ALA 268 N -3.37 2.82 0.29 5.17 0.00 -1.26 -4.44 121.76 120.97 1wgj s ALA 268 Ca 0.21 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 1wgj s ALA 268 Cb 0.04 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 1wgj s ALA 268 CO 0.03 -0.72 1.06 -0.25 0.00 0.00 0.00 175.76 175.88 1wgj n ASP 269 N -0.93 1.55 -4.88 0.00 9.92 -1.26 -4.43 116.55 116.52 1wgj n ASP 269 Ca 0.10 1.18 -0.30 0.00 -0.53 0.00 0.00 54.79 55.23 1wgj n ASP 269 Cb 0.50 -1.32 -0.04 0.00 -0.64 0.00 0.00 41.12 39.62 1wgj n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgj s ALA 270 N -1.02 3.43 0.73 2.24 0.00 -0.09 -4.90 121.76 122.15 1wgj s ALA 270 Ca 0.59 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 1wgj s ALA 270 Cb -0.68 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1wgj s ALA 270 CO 0.60 0.17 1.16 -2.14 0.00 0.00 0.00 175.76 175.54 1wgj s PRO 271 N -3.51 2.27 -0.06 0.00 0.02 -1.26 -4.71 135.00 127.76 1wgj s PRO 271 Ca 0.50 1.56 0.02 0.00 0.02 0.00 0.00 61.00 63.10 1wgj s PRO 271 Cb -0.10 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1wgj s PRO 271 CO 0.27 -1.69 -0.11 0.42 -0.33 0.00 0.00 177.00 175.56 1wgj s ILE 272 N -2.25 3.32 0.31 2.83 1.01 -1.26 -5.00 121.20 120.15 1wgj s ILE 272 Ca 0.70 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1wgj s ILE 272 Cb -0.24 -2.32 -0.13 0.00 0.01 0.00 0.00 42.46 39.78 1wgj s ILE 272 CO 0.46 0.59 1.34 -0.67 0.00 0.00 0.00 174.94 176.66 1wgj n ASP 273 N 2.29 2.81 0.31 3.58 2.03 -1.26 -4.86 116.55 121.45 1wgj n ASP 273 Ca -0.17 1.18 0.18 0.00 0.52 0.00 0.00 54.79 56.50 1wgj n ASP 273 Cb 0.52 -1.47 1.02 0.00 -0.72 0.00 0.00 41.12 40.48 1wgj n ASP 273 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1wgj h LYS 274 N 3.19 0.00 0.00 -0.67 1.79 -2.03 -1.20 116.57 117.65 1wgj h LYS 274 Ca -0.46 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1wgj h LYS 274 Cb 1.28 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1wgj h LYS 274 CO 0.68 0.01 -0.01 0.66 -1.08 0.00 0.00 179.45 179.70 1wgj h SER 275 N 0.00 0.00 0.88 0.86 4.64 -2.02 -0.57 113.55 117.35 1wgj h SER 275 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1wgj h SER 275 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1wgj h SER 275 CO 0.00 0.01 -0.16 0.40 -0.87 0.00 0.00 176.83 176.21 1wgj h ILE 276 N 0.00 0.43 -0.74 0.95 1.08 -1.57 -3.03 117.51 114.63 1wgj h ILE 276 Ca -0.00 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1wgj h ILE 276 Cb 0.07 1.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 1wgj h ILE 276 CO 0.00 0.16 0.48 0.44 -0.69 0.00 0.00 178.15 178.54 1wgj h ASP 277 N 0.00 0.67 -1.44 1.72 3.32 -1.29 -3.42 116.42 115.98 1wgj h ASP 277 Ca -0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.35 1wgj h ASP 277 Cb 0.65 -0.14 0.07 0.00 0.22 0.00 0.00 39.33 40.13 1wgj h ASP 277 CO 0.02 0.43 0.14 1.17 -1.72 0.00 0.00 179.24 179.27 1wgj n LYS 278 N -4.48 0.61 -3.73 3.56 4.81 -1.15 -4.90 118.16 112.88 1wgj n LYS 278 Ca 0.11 0.22 -0.37 0.00 -0.87 0.00 0.00 58.31 57.40 1wgj n LYS 278 Cb 0.24 -1.69 -0.11 0.00 0.02 0.00 0.00 35.03 33.49 1wgj n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1wgj s TRP 279 N -0.08 3.20 -0.16 5.64 -0.11 -1.26 -3.84 118.94 122.33 1wgj s TRP 279 Ca 0.81 -0.03 -0.09 0.00 1.22 0.00 0.00 56.10 58.00 1wgj s TRP 279 Cb -1.03 -2.26 -0.05 0.00 -1.50 0.00 0.00 33.47 28.64 1wgj s TRP 279 CO 0.53 -0.12 0.15 -0.06 -4.62 0.00 0.00 176.95 172.84 1wgj s PHE 280 N 1.32 3.50 -0.63 5.86 0.40 0.52 -4.90 117.98 124.05 1wgj s PHE 280 Ca 0.06 0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 56.75 1wgj s PHE 280 Cb -0.15 -2.09 0.16 0.00 0.51 0.00 0.00 43.02 41.46 1wgj s PHE 280 CO 0.06 0.47 0.51 -0.06 0.70 0.00 0.00 175.22 176.89 1wgj s PHE 281 N -0.22 3.52 0.00 0.36 0.40 -1.26 -0.22 117.98 120.55 1wgj s PHE 281 Ca 0.12 -2.17 0.00 0.00 -0.60 0.00 0.00 56.93 54.27 1wgj s PHE 281 Cb -0.12 -3.50 0.00 0.00 0.51 0.00 0.00 43.02 39.91 1wgj s PHE 281 CO 0.01 -0.94 0.26 0.44 0.70 0.00 0.00 175.22 175.69