#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgp n SER 2 N 0.00 -5.78 -3.60 1.61 2.88 -1.26 -5.08 113.62 102.39 1wgp n SER 2 Ca 0.00 1.21 -0.04 0.00 -1.33 0.00 0.00 58.87 58.71 1wgp n SER 2 Cb 0.00 -4.69 -0.02 0.00 -0.75 0.00 0.00 64.21 58.76 1wgp n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgp s SER 3 N -1.22 -0.18 1.55 -3.46 1.04 -1.26 -5.10 113.70 105.06 1wgp s SER 3 Ca -0.05 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1wgp s SER 3 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1wgp s SER 3 CO 0.67 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1wgp n GLY 4 N -0.28 2.84 3.15 7.32 0.00 -1.26 -4.66 105.19 112.30 1wgp n GLY 4 Ca -0.05 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.74 1wgp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgp s SER 5 N -4.00 -0.62 0.26 1.61 0.15 -1.26 -5.12 113.70 104.72 1wgp s SER 5 Ca 0.00 0.09 0.09 0.00 0.70 0.00 0.00 55.95 56.84 1wgp s SER 5 Cb 0.00 1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 1wgp s SER 5 CO 0.00 -0.11 0.01 -0.44 1.20 0.00 0.00 173.24 173.90 1wgp s SER 6 N 2.94 4.64 0.00 5.45 0.01 -1.26 -4.67 113.70 120.80 1wgp s SER 6 Ca 0.23 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1wgp s SER 6 Cb -0.04 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1wgp s SER 6 CO -0.23 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1wgp n GLY 7 N -0.89 1.15 2.27 3.44 0.00 -1.26 -4.53 105.19 105.37 1wgp n GLY 7 Ca -0.07 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1wgp n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wgp n VAL 8 N 0.00 4.14 -0.29 1.61 0.24 -1.26 -4.26 118.33 118.51 1wgp n VAL 8 Ca 0.00 -2.54 0.08 0.00 -2.04 0.00 0.00 64.34 59.84 1wgp n VAL 8 Cb 0.00 -2.43 0.20 0.00 -1.47 0.00 0.00 33.84 30.14 1wgp n VAL 8 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wgp h ARG 9 N 4.54 0.09 0.00 7.34 2.43 -1.83 -3.37 114.38 123.57 1wgp h ARG 9 Ca 0.72 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.79 1wgp h ARG 9 Cb 0.53 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.94 1wgp h ARG 9 CO 1.45 0.06 0.03 -2.13 -1.51 0.00 0.00 179.97 177.86 1wgp n ARG 10 N -5.38 0.16 -1.27 0.20 3.00 -1.26 -5.07 116.66 107.04 1wgp n ARG 10 Ca 0.16 -0.74 -0.31 0.00 -0.00 0.00 0.00 57.85 56.96 1wgp n ARG 10 Cb 0.55 -0.20 0.09 0.00 0.00 0.00 0.00 32.46 32.90 1wgp n ARG 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1wgp s VAL 11 N 0.07 3.15 -0.92 5.15 -7.23 -1.26 -4.91 120.40 114.44 1wgp s VAL 11 Ca 0.22 0.40 0.22 0.00 -1.81 0.00 0.00 61.98 61.02 1wgp s VAL 11 Cb 0.27 -2.84 0.20 0.00 0.56 0.00 0.00 36.38 34.56 1wgp s VAL 11 CO -0.16 -0.46 1.71 -0.81 -0.31 0.00 0.00 175.10 175.06 1wgp n PRO 12 N -3.42 0.04 0.43 4.82 -0.04 -1.26 -3.50 135.00 132.08 1wgp n PRO 12 Ca 0.10 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.55 1wgp n PRO 12 Cb 0.53 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1wgp n PRO 12 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wgp h LEU 13 N 0.00 -0.93 -4.97 1.53 3.38 -2.02 -3.18 115.31 109.11 1wgp h LEU 13 Ca 0.00 0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.39 1wgp h LEU 13 Cb 0.41 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1wgp h LEU 13 CO 0.00 -0.58 2.80 0.49 0.09 0.00 0.00 178.44 181.24 1wgp n PHE 14 N -5.51 2.08 -0.09 1.13 3.72 -1.23 -4.39 117.46 113.16 1wgp n PHE 14 Ca -0.14 -2.76 -0.17 0.00 -0.05 0.00 0.00 57.45 54.33 1wgp n PHE 14 Cb 0.44 -2.18 -0.09 0.00 -0.94 0.00 0.00 39.48 36.71 1wgp n PHE 14 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1wgp h GLU 15 N 4.54 0.00 0.00 -1.08 4.39 -1.74 -3.38 114.58 117.31 1wgp h GLU 15 Ca 0.72 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.42 1wgp h GLU 15 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wgp h GLU 15 CO 1.46 0.74 -0.58 -2.95 -1.16 0.00 0.00 179.01 176.52 1wgp h ASN 16 N -1.00 0.00 -3.15 1.42 -1.07 -1.86 -3.47 115.58 106.44 1wgp h ASN 16 Ca -0.25 -0.10 -0.56 0.00 0.07 0.00 0.00 56.30 55.46 1wgp h ASN 16 Cb 1.08 0.00 0.19 0.00 -2.07 0.00 0.00 38.32 37.52 1wgp h ASN 16 CO -0.15 0.05 -0.47 0.23 0.07 0.00 0.00 177.43 177.16 1wgp n MET 17 N -2.42 0.25 -4.20 4.14 2.81 -1.26 -5.00 117.12 111.43 1wgp n MET 17 Ca 0.03 0.12 -0.25 0.00 -1.81 0.00 0.00 57.70 55.79 1wgp n MET 17 Cb 0.48 -1.78 -0.07 0.00 -0.71 0.00 0.00 33.22 31.14 1wgp n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wgp s ASP 18 N -1.48 4.88 0.16 7.83 2.15 -1.26 -5.00 116.67 123.96 1wgp s ASP 18 Ca 0.64 -0.40 -0.17 0.00 0.43 0.00 0.00 52.55 53.04 1wgp s ASP 18 Cb -0.34 -1.07 0.09 0.00 -0.30 0.00 0.00 42.92 41.30 1wgp s ASP 18 CO 0.59 0.06 1.66 -0.33 -0.17 0.00 0.00 175.17 176.99 1wgp h GLU 19 N 2.38 -0.02 -0.15 4.34 5.08 -1.99 0.35 114.58 124.58 1wgp h GLU 19 Ca -0.47 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1wgp h GLU 19 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1wgp h GLU 19 CO 0.59 -0.01 0.11 0.00 -1.00 0.00 0.00 179.01 178.70 1wgp h ARG 20 N -0.02 0.00 -0.01 2.33 2.47 -1.99 0.14 114.38 117.30 1wgp h ARG 20 Ca 0.19 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.73 1wgp h ARG 20 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1wgp h ARG 20 CO -0.41 0.00 -0.80 1.25 0.56 0.00 0.00 179.97 180.57 1wgp h LEU 21 N 0.00 0.24 0.39 3.04 5.85 -0.83 -1.22 115.31 122.79 1wgp h LEU 21 Ca 0.07 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1wgp h LEU 21 Cb 0.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1wgp h LEU 21 CO -0.00 0.94 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.78 1wgp h LEU 22 N 0.12 -0.45 -0.77 2.25 -0.00 0.19 0.46 115.31 117.11 1wgp h LEU 22 Ca -0.03 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1wgp h LEU 22 Cb 1.40 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 42.13 1wgp h LEU 22 CO 0.12 -0.12 0.50 -0.78 -0.00 0.00 0.00 178.44 178.16 1wgp h ASP 23 N -0.80 0.84 1.00 -0.43 3.58 -1.34 1.50 116.42 120.77 1wgp h ASP 23 Ca -0.05 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1wgp h ASP 23 Cb 0.53 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.40 1wgp h ASP 23 CO 0.09 0.59 -0.48 0.00 -2.88 0.00 0.00 179.24 176.56 1wgp h ALA 24 N 1.31 -1.35 -0.25 -0.78 0.00 -1.12 1.51 119.26 118.57 1wgp h ALA 24 Ca 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wgp h ALA 24 Cb -0.04 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wgp h ALA 24 CO -0.09 -1.25 0.17 0.82 0.00 0.00 0.00 179.25 178.89 1wgp h ILE 25 N -1.36 1.06 0.26 0.00 2.04 0.16 0.32 117.51 119.99 1wgp h ILE 25 Ca -0.14 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1wgp h ILE 25 Cb 1.03 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1wgp h ILE 25 CO 0.23 0.06 -0.13 0.00 0.00 0.00 0.00 178.15 178.31 1wgp h GLU 27 N -0.53 0.00 -0.32 0.00 4.11 0.23 1.32 114.58 119.40 1wgp h GLU 27 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.26 1wgp h GLU 27 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1wgp h GLU 27 CO 0.06 0.00 -0.36 0.00 0.07 0.00 0.00 179.01 178.78 1wgp h ARG 28 N 0.00 0.73 -5.19 1.06 2.47 -0.79 -3.45 114.38 109.22 1wgp h ARG 28 Ca 0.50 -0.36 -0.68 0.00 -1.26 0.00 0.00 59.98 58.18 1wgp h ARG 28 Cb 2.24 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 30.61 1wgp h ARG 28 CO -0.01 0.98 0.03 1.28 0.56 0.00 0.00 179.97 182.81 1wgp n LEU 29 N -4.05 -0.05 -4.74 3.04 4.77 0.45 -4.92 117.00 111.49 1wgp n LEU 29 Ca -0.01 1.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.68 1wgp n LEU 29 Cb 0.51 -0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1wgp n LEU 29 CO 0.46 -1.69 -0.28 -0.54 -1.33 0.00 0.00 177.39 174.01 1wgp s LYS 30 N -0.03 2.73 -0.41 3.23 1.02 -1.06 -4.93 119.74 120.29 1wgp s LYS 30 Ca 0.78 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.65 1wgp s LYS 30 Cb -1.09 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.62 1wgp s LYS 30 CO 0.49 0.52 1.41 -1.25 -0.92 0.00 0.00 175.35 175.61 1wgp s PRO 31 N -2.61 3.59 0.08 -1.68 0.04 -1.26 -2.82 135.00 130.33 1wgp s PRO 31 Ca 0.28 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1wgp s PRO 31 Cb -0.11 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.43 1wgp s PRO 31 CO 0.21 -1.55 0.30 0.00 0.04 0.00 0.00 177.00 175.99 1wgp s LEU 33 N -2.46 2.21 -0.32 0.00 0.20 -1.26 -4.08 118.68 112.97 1wgp s LEU 33 Ca -0.00 -0.50 -0.07 0.00 0.69 0.00 0.00 54.13 54.25 1wgp s LEU 33 Cb 0.01 0.13 0.02 0.00 -0.43 0.00 0.00 46.19 45.92 1wgp s LEU 33 CO -0.08 -0.31 0.11 -0.36 -0.29 0.00 0.00 176.35 175.42 1wgp s PHE 34 N -1.50 3.20 0.00 5.38 0.08 -1.25 -5.06 117.98 118.83 1wgp s PHE 34 Ca -0.16 -1.11 0.00 0.00 0.12 0.00 0.00 56.93 55.78 1wgp s PHE 34 Cb -0.10 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1wgp s PHE 34 CO -0.01 -0.63 0.00 0.25 -0.10 0.00 0.00 175.22 174.73 1wgp n THR 35 N 4.87 0.00 -2.20 0.64 -2.24 -1.26 -3.32 114.28 110.77 1wgp n THR 35 Ca -0.13 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1wgp n THR 35 Cb 0.47 -1.88 -0.02 0.00 -2.10 0.00 0.00 70.33 66.80 1wgp n THR 35 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wgp s GLU 36 N -2.40 4.20 -1.00 -0.78 -1.05 -1.26 -2.76 118.70 113.65 1wgp s GLU 36 Ca 0.00 2.03 -0.03 0.00 -0.15 0.00 0.00 54.97 56.82 1wgp s GLU 36 Cb 0.00 -2.89 0.00 0.00 -0.44 0.00 0.00 34.13 30.81 1wgp s GLU 36 CO 0.00 -0.25 0.34 1.63 0.95 0.00 0.00 175.26 177.93 1wgp n LYS 37 N 0.46 -2.86 -3.40 -4.83 5.02 -1.01 -4.98 118.16 106.57 1wgp n LYS 37 Ca 0.02 0.58 -0.39 0.00 -2.02 0.00 0.00 58.31 56.50 1wgp n LYS 37 Cb 0.44 -4.76 -0.09 0.00 -0.02 0.00 0.00 35.03 30.60 1wgp n LYS 37 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wgp s SER 38 N -2.77 6.24 -0.47 4.39 0.01 -1.11 -4.91 113.70 115.07 1wgp s SER 38 Ca 0.17 0.23 -0.16 0.00 1.31 0.00 0.00 55.95 57.50 1wgp s SER 38 Cb -0.07 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 64.01 1wgp s SER 38 CO 0.21 -0.19 0.45 -0.31 0.41 0.00 0.00 173.24 173.80 1wgp s TYR 39 N 2.06 3.19 -0.04 2.43 2.02 -1.26 -1.03 117.35 124.71 1wgp s TYR 39 Ca 0.14 -0.74 -0.18 0.00 -0.37 0.00 0.00 57.07 55.92 1wgp s TYR 39 Cb -0.16 -3.17 -0.12 0.00 -0.40 0.00 0.00 41.96 38.11 1wgp s TYR 39 CO 0.10 -0.82 0.77 -0.07 -1.57 0.00 0.00 175.55 173.96 1wgp h LEU 40 N 9.00 -0.31 -8.35 -1.29 4.07 -1.95 -3.47 115.31 113.01 1wgp h LEU 40 Ca -0.28 -0.18 -0.29 0.00 0.08 0.00 0.00 57.88 57.21 1wgp h LEU 40 Cb 1.11 0.08 -0.19 0.00 1.08 0.00 0.00 40.66 42.74 1wgp h LEU 40 CO 0.88 0.18 -0.73 0.68 -1.08 0.00 0.00 178.44 178.36 1wgp s VAL 41 N -3.40 0.78 -0.01 1.22 -7.23 -1.26 -5.00 120.40 105.49 1wgp s VAL 41 Ca -0.10 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1wgp s VAL 41 Cb 0.01 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 1wgp s VAL 41 CO 0.37 -0.53 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.43 1wgp s ARG 42 N -2.51 0.51 0.04 4.82 0.52 -1.26 -2.85 118.95 118.21 1wgp s ARG 42 Ca 0.01 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 1wgp s ARG 42 Cb -0.04 -0.50 -0.07 0.00 0.52 0.00 0.00 34.95 34.86 1wgp s ARG 42 CO -0.01 0.11 1.52 -2.00 0.02 0.00 0.00 175.30 174.94 1wgp s GLU 43 N -0.03 4.24 0.00 3.54 -6.30 -1.26 -2.28 118.70 116.62 1wgp s GLU 43 Ca 0.01 2.14 0.00 0.00 -2.50 0.00 0.00 54.97 54.62 1wgp s GLU 43 Cb -0.04 -3.57 0.00 0.00 0.00 0.00 0.00 34.13 30.52 1wgp s GLU 43 CO -0.00 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.04 1wgp n GLY 44 N 3.81 2.58 3.86 -1.50 0.00 -1.26 -5.04 105.19 107.63 1wgp n GLY 44 Ca 0.14 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1wgp n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wgp s ASP 45 N 0.27 6.73 0.97 1.61 1.11 -0.96 -4.97 116.67 121.43 1wgp s ASP 45 Ca 0.00 1.06 -0.14 0.00 0.18 0.00 0.00 52.55 53.65 1wgp s ASP 45 Cb 0.00 -2.28 0.18 0.00 1.07 0.00 0.00 42.92 41.88 1wgp s ASP 45 CO 0.00 -0.04 1.17 -2.16 1.18 0.00 0.00 175.17 175.32 1wgp s PRO 46 N -2.55 0.63 -0.23 8.23 0.04 -1.26 -3.39 135.00 136.47 1wgp s PRO 46 Ca 0.46 0.10 -0.05 0.00 0.04 0.00 0.00 61.00 61.54 1wgp s PRO 46 Cb -0.12 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1wgp s PRO 46 CO 0.20 -2.51 0.01 0.08 0.04 0.00 0.00 177.00 174.82 1wgp s VAL 47 N -3.34 3.83 -0.14 -0.36 1.01 -1.17 -4.82 120.40 115.41 1wgp s VAL 47 Ca 0.67 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 1wgp s VAL 47 Cb -0.12 -2.76 -0.25 0.00 0.00 0.00 0.00 36.38 33.25 1wgp s VAL 47 CO 0.54 0.39 0.29 -3.20 0.00 0.00 0.00 175.10 173.12 1wgp n ASN 48 N 4.77 2.10 -3.92 3.32 2.85 -1.26 -4.51 115.26 118.61 1wgp n ASN 48 Ca -0.17 0.19 -0.10 0.00 -0.11 0.00 0.00 54.58 54.38 1wgp n ASN 48 Cb 0.51 -0.83 -0.10 0.00 1.24 0.00 0.00 39.78 40.60 1wgp n ASN 48 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1wgp s GLU 49 N -2.54 0.41 0.02 1.20 1.03 -1.26 -2.53 118.70 115.02 1wgp s GLU 49 Ca -0.24 -0.49 -0.06 0.00 0.03 0.00 0.00 54.97 54.20 1wgp s GLU 49 Cb 0.07 0.16 -0.05 0.00 -0.80 0.00 0.00 34.13 33.51 1wgp s GLU 49 CO 0.74 -0.09 0.27 1.41 -1.33 0.00 0.00 175.26 176.27 1wgp s MET 50 N -1.41 3.59 -0.23 -4.83 1.75 0.54 -4.83 119.30 113.87 1wgp s MET 50 Ca -0.15 -0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1wgp s MET 50 Cb -0.09 -3.07 0.01 0.00 2.84 0.00 0.00 34.83 34.53 1wgp s MET 50 CO 0.00 0.64 -0.08 -0.51 -0.65 0.00 0.00 175.02 174.42 1wgp s LEU 51 N -1.80 2.90 -0.50 4.11 2.01 -1.26 0.38 118.68 124.51 1wgp s LEU 51 Ca 0.28 -0.69 -0.19 0.00 0.01 0.00 0.00 54.13 53.54 1wgp s LEU 51 Cb -0.13 -1.65 0.05 0.00 0.01 0.00 0.00 46.19 44.47 1wgp s LEU 51 CO 0.17 -0.07 0.63 -0.36 1.01 0.00 0.00 176.35 177.72 1wgp s PHE 52 N 1.36 3.05 0.05 0.29 0.08 -0.96 -3.63 117.98 118.23 1wgp s PHE 52 Ca 0.03 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.29 1wgp s PHE 52 Cb -0.15 -3.51 -0.09 0.00 -0.57 0.00 0.00 43.02 38.69 1wgp s PHE 52 CO -0.06 -1.02 1.91 0.42 -0.10 0.00 0.00 175.22 176.38 1wgp s ILE 53 N 2.66 2.93 -0.27 0.64 -1.09 -1.24 -3.44 121.20 121.39 1wgp s ILE 53 Ca 0.16 0.07 -0.09 0.00 -2.23 0.00 0.00 60.65 58.56 1wgp s ILE 53 Cb -0.19 -3.05 -0.14 0.00 -1.58 0.00 0.00 42.46 37.51 1wgp s ILE 53 CO 0.13 -0.00 -0.31 -0.38 -1.23 0.00 0.00 174.94 173.14 1wgp n ILE 54 N 5.34 1.52 -3.15 2.92 2.08 -1.10 -4.46 119.36 122.51 1wgp n ILE 54 Ca 0.19 -0.44 0.05 0.00 0.56 0.00 0.00 62.75 63.11 1wgp n ILE 54 Cb 0.40 -1.74 -0.01 0.00 -0.75 0.00 0.00 39.64 37.54 1wgp n ILE 54 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1wgp s ARG 55 N -2.51 0.28 0.00 0.38 0.52 -0.93 -4.43 118.95 112.26 1wgp s ARG 55 Ca -0.38 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1wgp s ARG 55 Cb 0.13 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.83 1wgp s ARG 55 CO 0.53 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.88 1wgp n GLY 56 N 5.38 -1.17 3.15 -3.53 0.00 -1.26 -2.94 105.19 104.82 1wgp n GLY 56 Ca -0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1wgp n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgp s ARG 57 N -0.48 0.78 0.28 1.61 1.81 -1.26 -4.68 118.95 117.00 1wgp s ARG 57 Ca 0.00 -1.08 -0.16 0.00 -1.72 0.00 0.00 55.73 52.78 1wgp s ARG 57 Cb 0.00 -0.48 0.01 0.00 -0.45 0.00 0.00 34.95 34.03 1wgp s ARG 57 CO 0.00 0.07 0.61 -0.51 -0.68 0.00 0.00 175.30 174.80 1wgp s LEU 58 N -2.26 0.08 -0.08 2.53 1.02 -1.26 -4.40 118.68 114.31 1wgp s LEU 58 Ca 0.02 -0.85 0.04 0.00 0.02 0.00 0.00 54.13 53.36 1wgp s LEU 58 Cb -0.04 2.27 0.00 0.00 0.02 0.00 0.00 46.19 48.44 1wgp s LEU 58 CO -0.00 -1.30 -0.21 -1.83 0.02 0.00 0.00 176.35 173.03 1wgp s GLU 59 N -3.74 2.57 -0.18 1.70 -1.05 -1.16 -3.72 118.70 113.12 1wgp s GLU 59 Ca 0.17 -0.76 -0.08 0.00 -0.15 0.00 0.00 54.97 54.16 1wgp s GLU 59 Cb -0.03 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.60 1wgp s GLU 59 CO 0.09 0.18 0.07 0.45 0.95 0.00 0.00 175.26 177.00 1wgp s SER 60 N 0.31 5.73 0.03 0.83 0.15 0.05 -3.02 113.70 117.77 1wgp s SER 60 Ca -0.15 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.64 1wgp s SER 60 Cb -0.16 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1wgp s SER 60 CO 0.07 0.19 -0.07 -0.69 1.20 0.00 0.00 173.24 173.93 1wgp s VAL 61 N 0.31 0.47 -0.02 4.45 1.01 -0.97 -0.08 120.40 125.56 1wgp s VAL 61 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1wgp s VAL 61 Cb -0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1wgp s VAL 61 CO -0.00 -0.25 -0.19 0.28 0.00 0.00 0.00 175.10 174.94 1wgp s THR 62 N -1.02 2.63 -0.09 3.92 -1.32 -1.21 -1.34 115.64 117.21 1wgp s THR 62 Ca -0.07 -0.95 0.09 0.00 -1.21 0.00 0.00 61.69 59.55 1wgp s THR 62 Cb -0.08 -2.00 -0.14 0.00 -1.51 0.00 0.00 72.50 68.77 1wgp s THR 62 CO 0.00 0.54 0.24 0.35 -2.21 0.00 0.00 174.62 173.55 1wgp n THR 63 N 2.22 0.00 -4.14 5.08 -2.24 -1.26 -4.06 114.28 109.88 1wgp n THR 63 Ca -0.17 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 1wgp n THR 63 Cb 0.52 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1wgp n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wgp s ASP 64 N -2.87 5.08 0.00 3.42 -1.08 -1.26 -4.91 116.67 115.05 1wgp s ASP 64 Ca -0.02 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.76 1wgp s ASP 64 Cb 0.06 -1.20 0.00 0.00 -1.46 0.00 0.00 42.92 40.32 1wgp s ASP 64 CO 0.39 0.11 0.00 0.61 0.52 0.00 0.00 175.17 176.80 1wgp n GLY 65 N 0.01 -2.32 0.99 2.66 0.00 -1.26 -5.03 105.19 100.24 1wgp n GLY 65 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1wgp n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgp n GLY 66 N -0.76 0.01 3.05 -0.02 0.00 -1.26 -5.09 105.19 101.11 1wgp n GLY 66 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1wgp n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgp s ARG 67 N -0.68 0.53 -0.36 1.61 3.52 -1.26 -5.03 118.95 117.29 1wgp s ARG 67 Ca 0.00 -0.11 -0.28 0.00 -0.13 0.00 0.00 55.73 55.21 1wgp s ARG 67 Cb 0.00 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1wgp s ARG 67 CO 0.00 -0.80 0.52 -1.13 -0.81 0.00 0.00 175.30 173.08 1wgp n SER 68 N 4.27 -6.07 -3.16 -2.12 3.41 -1.26 -4.96 113.62 103.74 1wgp n SER 68 Ca 0.09 0.08 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 1wgp n SER 68 Cb 0.59 -2.20 -0.05 0.00 -0.26 0.00 0.00 64.21 62.29 1wgp n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgp n GLY 69 N 0.11 2.92 1.17 5.00 0.00 -1.26 -5.12 105.19 108.01 1wgp n GLY 69 Ca -0.04 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1wgp n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgp n PHE 70 N 1.07 -2.67 -4.52 1.61 3.72 -1.26 -4.82 117.46 110.59 1wgp n PHE 70 Ca 0.21 1.40 -0.33 0.00 -0.05 0.00 0.00 57.45 58.68 1wgp n PHE 70 Cb 0.58 -2.43 -0.13 0.00 -0.94 0.00 0.00 39.48 36.56 1wgp n PHE 70 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1wgp s TYR 71 N -3.12 2.96 -0.58 1.38 1.51 -1.26 -4.98 117.35 113.26 1wgp s TYR 71 Ca 0.00 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.47 1wgp s TYR 71 Cb 0.00 -1.90 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1wgp s TYR 71 CO 0.00 -0.05 0.90 1.21 -1.11 0.00 0.00 175.55 176.51 1wgp s ASN 72 N 0.25 6.27 0.43 2.29 2.47 -1.26 -4.95 114.94 120.44 1wgp s ASN 72 Ca -0.05 -0.62 -0.18 0.00 0.42 0.00 0.00 52.86 52.43 1wgp s ASN 72 Cb -0.14 -2.41 -0.09 0.00 -1.45 0.00 0.00 41.25 37.15 1wgp s ASN 72 CO 0.04 -1.24 0.90 -0.13 -3.72 0.00 0.00 177.10 172.95 1wgp s ARG 73 N 3.79 4.08 0.30 0.43 0.52 -1.26 -3.31 118.95 123.50 1wgp s ARG 73 Ca 0.26 0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 56.23 1wgp s ARG 73 Cb -0.15 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.12 1wgp s ARG 73 CO 0.15 -0.06 0.70 -1.12 0.02 0.00 0.00 175.30 174.99 1wgp s SER 74 N -2.50 -0.14 0.11 0.23 0.01 0.89 -5.00 113.70 107.30 1wgp s SER 74 Ca 0.59 -0.80 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1wgp s SER 74 Cb -0.10 0.74 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1wgp s SER 74 CO 0.20 -1.40 -0.10 -0.22 0.41 0.00 0.00 173.24 172.13 1wgp s LEU 75 N -2.98 2.45 0.41 2.44 2.96 -1.26 -0.77 118.68 121.93 1wgp s LEU 75 Ca 0.14 -0.89 0.07 0.00 -0.22 0.00 0.00 54.13 53.24 1wgp s LEU 75 Cb -0.05 -0.31 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1wgp s LEU 75 CO 0.09 -0.29 0.18 -0.76 -1.32 0.00 0.00 176.35 174.24 1wgp s LEU 76 N -2.70 3.11 0.00 -0.68 1.43 -1.24 -4.86 118.68 113.73 1wgp s LEU 76 Ca 0.09 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 1wgp s LEU 76 Cb -0.01 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1wgp s LEU 76 CO -0.00 -0.54 0.02 2.29 0.23 0.00 0.00 176.35 178.35 1wgp n LYS 77 N -1.23 1.46 -2.38 1.70 2.85 -1.26 -4.72 118.16 114.58 1wgp n LYS 77 Ca -0.01 -1.47 -0.42 0.00 -1.05 0.00 0.00 58.31 55.35 1wgp n LYS 77 Cb 0.65 0.36 -0.03 0.00 -0.65 0.00 0.00 35.03 35.36 1wgp n LYS 77 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1wgp s GLU 78 N -2.76 4.37 0.00 -1.58 -1.05 -1.26 -2.84 118.70 113.58 1wgp s GLU 78 Ca 0.02 1.80 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 1wgp s GLU 78 Cb -0.00 -3.46 0.00 0.00 -0.44 0.00 0.00 34.13 30.23 1wgp s GLU 78 CO 0.01 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.23 1wgp n GLY 79 N 3.37 0.74 3.65 -3.83 0.00 -1.26 -4.98 105.19 102.89 1wgp n GLY 79 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1wgp n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wgp s ASP 80 N -1.79 1.74 -0.16 1.61 1.47 -1.13 -4.75 116.67 113.66 1wgp s ASP 80 Ca 0.00 0.80 -0.21 0.00 1.18 0.00 0.00 52.55 54.32 1wgp s ASP 80 Cb 0.00 -1.19 0.05 0.00 -0.34 0.00 0.00 42.92 41.45 1wgp s ASP 80 CO 0.00 -3.63 0.56 0.72 0.68 0.00 0.00 175.17 173.50 1wgp s PHE 81 N -3.07 -0.59 0.24 2.11 -0.12 -1.26 -3.65 117.98 111.65 1wgp s PHE 81 Ca 0.69 1.32 0.07 0.00 -0.05 0.00 0.00 56.93 58.97 1wgp s PHE 81 Cb -0.13 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1wgp s PHE 81 CO 0.56 -0.37 0.13 0.00 -0.05 0.00 0.00 175.22 175.49 1wgp n GLY 83 N -0.92 -0.17 0.20 0.00 0.00 -1.26 -4.21 105.19 98.83 1wgp n GLY 83 Ca -0.08 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1wgp n GLY 83 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgp h ASP 84 N -1.85 0.39 -0.84 1.61 3.04 -1.92 -2.76 116.42 114.09 1wgp h ASP 84 Ca -0.66 -0.18 0.24 0.00 -3.24 0.00 0.00 57.03 53.19 1wgp h ASP 84 Cb 1.40 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 39.55 1wgp h ASP 84 CO 0.70 0.80 0.86 -0.33 -2.04 0.00 0.00 179.24 179.22 1wgp h GLU 85 N 0.29 0.00 -0.59 4.15 4.39 -1.87 1.15 114.58 122.11 1wgp h GLU 85 Ca 0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1wgp h GLU 85 Cb 0.92 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 1wgp h GLU 85 CO 0.08 0.00 0.26 1.25 -1.16 0.00 0.00 179.01 179.44 1wgp h LEU 86 N 0.00 0.79 -0.34 1.33 5.85 -1.81 0.40 115.31 121.53 1wgp h LEU 86 Ca 0.40 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1wgp h LEU 86 Cb 2.12 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.87 1wgp h LEU 86 CO -0.00 0.72 -0.14 0.25 -0.34 0.00 0.00 178.44 178.93 1wgp h LEU 87 N 0.81 -0.47 -0.43 2.25 5.85 0.12 -0.59 115.31 122.85 1wgp h LEU 87 Ca 0.20 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.92 1wgp h LEU 87 Cb 0.16 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1wgp h LEU 87 CO -0.02 -0.17 -0.21 0.74 -0.34 0.00 0.00 178.44 178.44 1wgp h THR 88 N -0.07 1.28 -0.56 1.05 2.02 -1.46 -2.31 112.91 112.86 1wgp h THR 88 Ca 0.17 -1.36 0.09 0.00 0.77 0.00 0.00 66.41 66.08 1wgp h THR 88 Cb 0.33 1.24 -0.10 0.00 -1.74 0.00 0.00 68.15 67.87 1wgp h THR 88 CO -0.39 0.46 -0.43 -0.25 0.37 0.00 0.00 175.52 175.28 1wgp h TRP 89 N 0.72 -1.25 0.04 3.16 7.01 0.96 1.56 115.95 128.15 1wgp h TRP 89 Ca 0.09 0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.19 1wgp h TRP 89 Cb 0.78 0.63 -0.02 0.00 -2.10 0.00 0.00 29.16 28.44 1wgp h TRP 89 CO 0.06 -0.42 -0.11 0.00 -2.79 0.00 0.00 178.44 175.18 1wgp h ALA 90 N 0.62 -0.16 -0.88 2.65 0.00 -1.09 -0.69 119.26 119.72 1wgp h ALA 90 Ca 0.18 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.28 1wgp h ALA 90 Cb 0.56 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1wgp h ALA 90 CO -0.67 -0.61 0.59 -0.07 0.00 0.00 0.00 179.25 178.48 1wgp h LEU 91 N -0.20 0.35 -9.34 0.00 4.07 -0.26 -3.39 115.31 106.54 1wgp h LEU 91 Ca 0.03 0.04 -0.55 0.00 0.08 0.00 0.00 57.88 57.47 1wgp h LEU 91 Cb 0.23 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1wgp h LEU 91 CO -0.08 0.14 0.64 -1.81 -1.08 0.00 0.00 178.44 176.26 1wgp s ASP 92 N -5.68 7.10 0.13 -0.43 1.01 0.51 -4.92 116.67 114.38 1wgp s ASP 92 Ca -0.08 1.81 -0.06 0.00 0.71 0.00 0.00 52.55 54.94 1wgp s ASP 92 Cb 0.22 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 1wgp s ASP 92 CO 0.78 -0.53 1.32 1.55 0.21 0.00 0.00 175.17 178.50 1wgp h PRO 93 N 7.27 0.48 -0.28 8.23 0.13 -1.80 -3.23 132.00 142.82 1wgp h PRO 93 Ca -0.35 -0.47 -0.16 0.00 -0.87 0.00 0.00 66.00 64.15 1wgp h PRO 93 Cb 1.17 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wgp h PRO 93 CO 0.86 1.11 -0.44 0.87 -0.23 0.00 0.00 178.00 180.18 1wgp h LYS 94 N 0.30 0.78 -6.81 0.86 1.79 -1.91 -3.47 116.57 108.11 1wgp h LYS 94 Ca -0.07 -0.47 -0.56 0.00 -2.18 0.00 0.00 60.65 57.36 1wgp h LYS 94 Cb 1.50 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 32.06 1wgp h LYS 94 CO 0.16 1.10 -0.93 -1.13 -1.08 0.00 0.00 179.45 177.57 1wgp n SER 95 N -4.13 0.33 0.00 0.86 3.41 -1.22 -4.31 113.62 108.56 1wgp n SER 95 Ca -0.04 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1wgp n SER 95 Cb 0.56 -2.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.25 1wgp n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgp n GLY 96 N -2.31 0.57 1.64 5.00 0.00 -1.26 -3.96 105.19 104.88 1wgp n GLY 96 Ca -0.32 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wgp n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgp n SER 97 N 2.04 0.00 -4.67 1.61 3.41 -1.26 -5.14 113.62 109.61 1wgp n SER 97 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1wgp n SER 97 Cb 0.00 0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1wgp n SER 97 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1wgp s ASN 98 N -2.23 4.09 0.97 4.04 3.84 -1.25 -5.10 114.94 119.29 1wgp s ASN 98 Ca 0.00 -1.29 -0.16 0.00 0.21 0.00 0.00 52.86 51.62 1wgp s ASN 98 Cb 0.00 -0.36 -0.12 0.00 -0.55 0.00 0.00 41.25 40.22 1wgp s ASN 98 CO 0.00 -0.51 -0.59 0.18 -2.79 0.00 0.00 177.10 173.39 1wgp n LEU 99 N -1.09 -5.03 0.00 3.21 4.77 -1.26 -4.96 117.00 112.65 1wgp n LEU 99 Ca -0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1wgp n LEU 99 Cb 0.66 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1wgp n LEU 99 CO 0.47 -5.62 0.00 -0.81 -1.33 0.00 0.00 177.39 170.11 1wgp n PRO 100 N 1.82 -0.36 -4.66 3.23 -0.04 -1.26 -4.82 135.00 128.91 1wgp n PRO 100 Ca -0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1wgp n PRO 100 Cb 0.55 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.87 1wgp n PRO 100 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgp s SER 101 N -1.25 2.99 0.86 3.54 0.01 -1.26 -3.03 113.70 115.55 1wgp s SER 101 Ca 0.00 -0.62 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 1wgp s SER 101 Cb 0.00 -0.24 0.11 0.00 0.21 0.00 0.00 66.02 66.10 1wgp s SER 101 CO 0.00 0.20 1.09 -0.94 0.41 0.00 0.00 173.24 174.00 1wgp s SER 102 N -1.50 3.78 -0.14 2.44 1.04 -1.22 -4.73 113.70 113.37 1wgp s SER 102 Ca 0.11 1.57 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 1wgp s SER 102 Cb -0.10 -2.26 -0.25 0.00 0.10 0.00 0.00 66.02 63.52 1wgp s SER 102 CO 0.03 -2.46 0.36 0.71 0.98 0.00 0.00 173.24 172.86 1wgp h THR 103 N -1.42 0.72 -2.88 2.02 1.35 -1.95 -3.45 112.91 107.29 1wgp h THR 103 Ca -0.48 -2.31 0.08 0.00 -0.55 0.00 0.00 66.41 63.15 1wgp h THR 103 Cb 1.27 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 70.09 1wgp h THR 103 CO 0.54 0.75 0.27 0.00 -0.25 0.00 0.00 175.52 176.84 1wgp s ARG 104 N -2.51 1.64 -0.56 4.72 3.03 -1.26 -4.98 118.95 119.03 1wgp s ARG 104 Ca -0.23 -0.88 -0.23 0.00 2.03 0.00 0.00 55.73 56.41 1wgp s ARG 104 Cb 0.06 0.57 0.05 0.00 -1.03 0.00 0.00 34.95 34.60 1wgp s ARG 104 CO 0.73 -0.75 0.90 0.99 -1.13 0.00 0.00 175.30 176.04 1wgp s THR 105 N -3.79 4.45 -0.00 4.99 2.01 -0.45 -4.27 115.64 118.57 1wgp s THR 105 Ca 0.10 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1wgp s THR 105 Cb -0.05 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1wgp s THR 105 CO 0.04 -1.12 0.02 -0.69 -0.69 0.00 0.00 174.62 172.19 1wgp s VAL 106 N 3.78 4.30 0.01 3.82 1.01 -1.13 -2.29 120.40 129.90 1wgp s VAL 106 Ca 0.27 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1wgp s VAL 106 Cb -0.14 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1wgp s VAL 106 CO 0.17 0.37 -0.01 -0.75 0.00 0.00 0.00 175.10 174.88 1wgp s LYS 107 N -1.60 0.14 -0.36 2.72 2.20 -1.17 -3.16 119.74 118.52 1wgp s LYS 107 Ca 0.20 -0.26 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 1wgp s LYS 107 Cb -0.12 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1wgp s LYS 107 CO 0.11 -0.02 0.97 0.00 -0.36 0.00 0.00 175.35 176.05 1wgp s ALA 108 N -0.62 3.42 -0.13 3.13 0.00 -0.20 -2.99 121.76 124.38 1wgp s ALA 108 Ca -0.07 -0.36 0.19 0.00 0.00 0.00 0.00 51.96 51.72 1wgp s ALA 108 Cb -0.04 -3.58 -0.25 0.00 0.00 0.00 0.00 23.12 19.25 1wgp s ALA 108 CO -0.00 -1.60 0.41 1.28 0.00 0.00 0.00 175.76 175.84 1wgp n LEU 109 N 6.84 0.24 -4.18 0.00 4.32 -1.26 -2.39 117.00 120.56 1wgp n LEU 109 Ca 0.08 0.10 -0.12 0.00 -0.02 0.00 0.00 56.01 56.06 1wgp n LEU 109 Cb 0.48 0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 42.40 1wgp n LEU 109 CO 0.59 0.25 -0.40 0.28 -1.22 0.00 0.00 177.39 176.89 1wgp s THR 110 N -2.93 0.81 -0.32 -5.08 -1.32 -1.26 -4.93 115.64 100.61 1wgp s THR 110 Ca -0.07 -1.87 -0.44 0.00 -1.21 0.00 0.00 61.69 58.10 1wgp s THR 110 Cb 0.09 -1.61 -0.19 0.00 -1.51 0.00 0.00 72.50 69.28 1wgp s THR 110 CO 0.85 -0.78 1.49 1.21 -2.21 0.00 0.00 174.62 175.18 1wgp n GLU 111 N 0.09 0.26 -4.41 7.08 2.13 -1.26 -4.68 120.64 119.85 1wgp n GLU 111 Ca -0.13 0.09 -0.29 0.00 0.66 0.00 0.00 57.16 57.49 1wgp n GLU 111 Cb 0.60 -1.63 -0.12 0.00 0.27 0.00 0.00 31.44 30.55 1wgp n GLU 111 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wgp s VAL 112 N 2.30 2.60 -0.21 6.31 1.01 -1.21 -4.44 120.40 126.76 1wgp s VAL 112 Ca 1.00 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1wgp s VAL 112 Cb -1.35 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 32.94 1wgp s VAL 112 CO 0.72 0.14 0.04 -1.61 0.00 0.00 0.00 175.10 174.39 1wgp s GLU 113 N -1.97 0.67 0.33 2.72 2.02 -1.15 -3.78 118.70 117.54 1wgp s GLU 113 Ca 0.16 -0.49 -0.18 0.00 0.02 0.00 0.00 54.97 54.48 1wgp s GLU 113 Cb -0.10 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 32.07 1wgp s GLU 113 CO 0.08 -0.67 0.78 0.00 0.02 0.00 0.00 175.26 175.46 1wgp s ALA 114 N 1.83 -0.99 0.30 5.21 0.00 -1.26 -2.19 121.76 124.67 1wgp s ALA 114 Ca -0.00 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1wgp s ALA 114 Cb -0.17 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1wgp s ALA 114 CO -0.10 -1.01 0.08 -0.06 0.00 0.00 0.00 175.76 174.67 1wgp s PHE 115 N -2.96 2.73 0.18 0.00 0.40 -1.22 -4.00 117.98 113.10 1wgp s PHE 115 Ca 0.14 -0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 1wgp s PHE 115 Cb -0.05 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1wgp s PHE 115 CO 0.09 0.48 0.20 0.00 0.70 0.00 0.00 175.22 176.69 1wgp s ALA 116 N -2.36 3.70 -0.08 5.36 0.00 -1.13 -2.26 121.76 124.99 1wgp s ALA 116 Ca 0.34 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1wgp s ALA 116 Cb -0.04 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.63 1wgp s ALA 116 CO 0.21 0.45 0.16 -1.17 0.00 0.00 0.00 175.76 175.42 1wgp s LEU 117 N -3.31 0.03 0.22 0.00 1.98 0.16 -2.58 118.68 115.18 1wgp s LEU 117 Ca 0.32 0.34 -0.23 0.00 -2.89 0.00 0.00 54.13 51.68 1wgp s LEU 117 Cb -0.10 0.31 -0.08 0.00 0.66 0.00 0.00 46.19 46.98 1wgp s LEU 117 CO 0.25 -0.23 0.78 -0.51 -1.89 0.00 0.00 176.35 174.75 1wgp s ILE 118 N 2.12 4.44 0.06 6.68 2.07 -1.26 0.20 121.20 135.52 1wgp s ILE 118 Ca 0.01 1.51 -0.22 0.00 -1.41 0.00 0.00 60.65 60.54 1wgp s ILE 118 Cb -0.12 -3.97 -0.14 0.00 0.13 0.00 0.00 42.46 38.36 1wgp s ILE 118 CO -0.06 0.29 1.57 0.00 -1.91 0.00 0.00 174.94 174.83 1wgp h ALA 119 N 3.65 0.12 -0.31 1.50 0.00 -1.85 -1.26 119.26 121.10 1wgp h ALA 119 Ca -0.47 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1wgp h ALA 119 Cb 1.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1wgp h ALA 119 CO 0.65 -0.27 -0.23 0.22 0.00 0.00 0.00 179.25 179.63 1wgp h ASP 120 N -0.04 -0.82 -0.81 0.00 3.58 -1.94 1.58 116.42 117.98 1wgp h ASP 120 Ca 0.03 0.12 0.14 0.00 0.42 0.00 0.00 57.03 57.74 1wgp h ASP 120 Cb 0.22 0.35 -0.06 0.00 1.72 0.00 0.00 39.33 41.56 1wgp h ASP 120 CO -0.00 -0.12 0.53 -0.33 -2.88 0.00 0.00 179.24 176.44 1wgp h GLU 121 N -0.06 0.53 0.22 0.28 4.39 -1.97 -1.36 114.58 116.62 1wgp h GLU 121 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1wgp h GLU 121 Cb 0.19 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1wgp h GLU 121 CO -0.32 0.35 -0.11 1.25 -1.16 0.00 0.00 179.01 179.02 1wgp h LEU 122 N 0.55 -0.25 -0.95 1.33 6.46 0.15 -2.32 115.31 120.28 1wgp h LEU 122 Ca 0.40 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.33 1wgp h LEU 122 Cb 0.75 0.07 -0.16 0.00 -0.73 0.00 0.00 40.66 40.59 1wgp h LEU 122 CO -0.15 -0.16 -0.31 1.17 -0.62 0.00 0.00 178.44 178.37 1wgp n LYS 123 N -2.93 -0.16 -0.03 1.25 4.81 0.48 0.15 118.16 121.73 1wgp n LYS 123 Ca -0.04 1.47 -0.03 0.00 -0.87 0.00 0.00 58.31 58.84 1wgp n LYS 123 Cb 0.12 -2.18 -0.02 0.00 0.02 0.00 0.00 35.03 32.96 1wgp n LYS 123 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1wgp h PHE 124 N 0.00 -0.33 -0.14 5.64 3.04 -1.22 1.57 116.94 125.50 1wgp h PHE 124 Ca 0.38 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.39 1wgp h PHE 124 Cb 0.62 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1wgp h PHE 124 CO -0.79 -0.10 0.12 -0.24 -2.02 0.00 0.00 178.31 175.28 1wgp h VAL 125 N -0.08 0.74 0.74 1.41 3.04 -0.42 0.73 116.25 122.41 1wgp h VAL 125 Ca 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.67 1wgp h VAL 125 Cb 0.12 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.32 1wgp h VAL 125 CO -0.11 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 176.09 1wgp h ALA 126 N 1.90 -1.00 -0.34 3.17 0.00 0.46 -3.04 119.26 120.40 1wgp h ALA 126 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wgp h ALA 126 Cb 0.30 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wgp h ALA 126 CO -0.00 -0.93 0.13 0.77 0.00 0.00 0.00 179.25 179.22 1wgp h SER 127 N -1.27 0.48 -1.16 0.00 0.02 0.27 0.15 113.55 112.04 1wgp h SER 127 Ca -0.10 -0.18 0.43 0.00 -0.84 0.00 0.00 61.79 61.10 1wgp h SER 127 Cb 0.76 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.04 1wgp h SER 127 CO 0.17 0.52 0.71 0.00 -1.14 0.00 0.00 176.83 177.09 1wgp n GLN 128 N -4.69 -0.04 -0.10 3.45 1.13 0.25 0.14 117.38 117.52 1wgp n GLN 128 Ca -0.01 1.22 -0.24 0.00 -1.94 0.00 0.00 57.00 56.03 1wgp n GLN 128 Cb 0.15 -2.32 -0.12 0.00 0.11 0.00 0.00 30.24 28.06 1wgp n GLN 128 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wgp n PHE 129 N -4.78 0.59 -0.28 1.08 7.35 -0.97 -3.98 117.46 116.47 1wgp n PHE 129 Ca 0.37 0.21 0.07 0.00 -0.76 0.00 0.00 57.45 57.33 1wgp n PHE 129 Cb 1.37 -1.07 0.18 0.00 0.35 0.00 0.00 39.48 40.32 1wgp n PHE 129 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1wgp h ARG 130 N -0.66 0.09 0.00 -4.13 9.65 0.20 -3.42 114.38 116.11 1wgp h ARG 130 Ca -0.51 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1wgp h ARG 130 Cb 1.62 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.18 1wgp h ARG 130 CO -0.21 0.06 0.00 -2.13 2.80 0.00 0.00 179.97 180.49 1wgp n ARG 131 N -5.37 0.00 0.02 0.20 3.00 0.12 -5.06 116.66 109.57 1wgp n ARG 131 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1wgp n ARG 131 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1wgp n ARG 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wgp n SER 132 N -3.37 -0.28 -3.61 6.15 7.64 -0.41 -4.90 113.62 114.84 1wgp n SER 132 Ca 0.00 0.26 -0.12 0.00 1.01 0.00 0.00 58.87 60.03 1wgp n SER 132 Cb 0.00 0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 63.64 1wgp n SER 132 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgp s GLY 133 N -2.00 -0.33 -0.59 0.23 0.00 -1.26 -3.18 107.32 100.18 1wgp s GLY 133 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.67 1wgp s GLY 133 CO 0.00 -0.05 1.52 2.56 0.00 0.00 0.00 173.10 177.12 1wgp s PRO 134 N -3.17 3.12 0.34 2.90 0.04 -1.26 -4.97 135.00 132.00 1wgp s PRO 134 Ca -0.01 0.42 0.07 0.00 0.04 0.00 0.00 61.00 61.52 1wgp s PRO 134 Cb 0.00 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1wgp s PRO 134 CO -0.07 -2.16 0.35 0.45 0.04 0.00 0.00 177.00 175.60 1wgp s SER 135 N 5.27 5.44 -0.30 6.66 0.15 -1.26 -5.10 113.70 124.55 1wgp s SER 135 Ca 0.54 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.76 1wgp s SER 135 Cb -0.11 -0.99 0.07 0.00 -1.71 0.00 0.00 66.02 63.28 1wgp s SER 135 CO 0.23 -0.41 -0.02 -0.55 1.20 0.00 0.00 173.24 173.69 1wgp s SER 136 N -4.06 4.72 0.00 5.45 0.15 -1.26 -4.96 113.70 113.75 1wgp s SER 136 Ca 0.43 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1wgp s SER 136 Cb -0.07 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1wgp s SER 136 CO 0.28 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.05