#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 -1.95 -2.22 1.61 2.88 -1.26 -5.13 113.62 107.54 1wgp n SER 2 Ca 0.00 0.61 -0.03 0.00 -1.33 0.00 0.00 58.87 58.12 1wgp n SER 2 Cb 0.00 1.95 -0.02 0.00 -0.75 0.00 0.00 64.21 65.39 1wgp n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgp n SER 3 N -3.33 -2.14 0.00 -3.46 2.88 -1.26 -5.08 113.62 101.23 1wgp n SER 3 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1wgp n SER 3 Cb 0.00 -3.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 1wgp n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 4 N 0.93 0.96 3.61 0.46 0.00 -1.26 -5.10 105.19 104.79 1wgp n GLY 4 Ca -0.21 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 1wgp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgp s SER 5 N 1.05 6.06 0.38 1.61 0.01 -1.26 -5.07 113.70 116.49 1wgp s SER 5 Ca 0.00 0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.08 1wgp s SER 5 Cb 0.00 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 64.00 1wgp s SER 5 CO 0.00 -0.04 0.93 -0.55 0.41 0.00 0.00 173.24 173.99 1wgp s SER 6 N 1.60 7.07 0.00 2.44 0.15 -1.26 -5.06 113.70 118.64 1wgp s SER 6 Ca 0.08 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1wgp s SER 6 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1wgp s SER 6 CO 0.10 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wgp n GLY 7 N -0.17 -2.88 3.65 9.45 0.00 -1.26 -4.48 105.19 109.49 1wgp n GLY 7 Ca 0.05 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.25 0.32 1.61 0.24 -1.26 -4.78 118.33 114.21 1wgp n VAL 8 Ca 0.00 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1wgp n VAL 8 Cb 0.00 -0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 31.84 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 -0.71 -0.79 -0.86 7.34 2.43 -2.01 -3.37 114.38 116.41 1wgp h ARG 9 Ca -0.43 0.05 -0.42 0.00 -0.81 0.00 0.00 59.98 58.38 1wgp h ARG 9 Cb 0.95 0.18 -0.41 0.00 -0.42 0.00 0.00 29.97 30.27 1wgp h ARG 9 CO 0.57 -0.53 -0.99 -2.13 -1.51 0.00 0.00 179.97 175.39 1wgp n ARG 10 N -4.63 2.41 -2.69 0.20 0.63 -1.26 -5.08 116.66 106.24 1wgp n ARG 10 Ca -0.10 -3.81 -0.40 0.00 -0.92 0.00 0.00 57.85 52.61 1wgp n ARG 10 Cb 0.32 -1.82 -0.06 0.00 0.45 0.00 0.00 32.46 31.36 1wgp n ARG 10 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wgp s VAL 11 N -4.19 3.97 0.18 5.15 1.01 -1.26 -4.96 120.40 120.30 1wgp s VAL 11 Ca 0.37 1.97 0.02 0.00 0.00 0.00 0.00 61.98 64.34 1wgp s VAL 11 Cb 0.39 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 1wgp s VAL 11 CO -0.03 0.46 1.41 1.55 0.00 0.00 0.00 175.10 178.50 1wgp h PRO 12 N 4.14 0.24 -0.80 2.72 0.13 -1.98 -3.31 132.00 133.15 1wgp h PRO 12 Ca -0.45 -0.23 0.08 0.00 -0.87 0.00 0.00 66.00 64.52 1wgp h PRO 12 Cb 1.20 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 1wgp h PRO 12 CO 0.68 0.93 -0.56 -0.07 -0.23 0.00 0.00 178.00 178.75 1wgp h LEU 13 N 0.14 -2.00 -4.85 1.56 3.38 -2.02 0.40 115.31 111.92 1wgp h LEU 13 Ca -0.04 0.29 -0.58 0.00 0.09 0.00 0.00 57.88 57.65 1wgp h LEU 13 Cb 1.42 0.87 -0.01 0.00 0.09 0.00 0.00 40.66 43.03 1wgp h LEU 13 CO 0.13 -0.27 2.86 0.49 0.09 0.00 0.00 178.44 181.74 1wgp n PHE 14 N -5.19 1.95 -0.10 1.13 3.72 -1.25 -4.30 117.46 113.44 1wgp n PHE 14 Ca 0.00 -2.74 -0.24 0.00 -0.05 0.00 0.00 57.45 54.42 1wgp n PHE 14 Cb 0.27 -2.25 -0.12 0.00 -0.94 0.00 0.00 39.48 36.45 1wgp n PHE 14 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wgp n GLU 15 N 3.17 0.61 0.05 -1.08 1.02 0.13 -4.43 120.64 120.10 1wgp n GLU 15 Ca 0.70 0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 58.14 1wgp n GLU 15 Cb 0.37 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 1wgp n GLU 15 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1wgp h ASN 16 N -0.75 0.20 -3.24 1.62 -1.07 -1.82 -3.47 115.58 107.05 1wgp h ASN 16 Ca -0.47 -0.26 -0.57 0.00 0.07 0.00 0.00 56.30 55.08 1wgp h ASN 16 Cb 1.55 -0.06 0.18 0.00 -2.07 0.00 0.00 38.32 37.91 1wgp h ASN 16 CO -0.21 1.22 -0.32 0.80 0.07 0.00 0.00 177.43 178.99 1wgp n MET 17 N -3.35 0.40 -4.21 4.14 1.56 -1.26 -5.00 117.12 109.40 1wgp n MET 17 Ca -0.10 0.17 -0.24 0.00 -0.27 0.00 0.00 57.70 57.26 1wgp n MET 17 Cb 1.01 -1.86 -0.06 0.00 2.15 0.00 0.00 33.22 34.45 1wgp n MET 17 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wgp s ASP 18 N -1.41 4.95 0.16 6.12 1.11 -1.26 -4.99 116.67 121.34 1wgp s ASP 18 Ca 0.68 -0.43 -0.24 0.00 0.18 0.00 0.00 52.55 52.74 1wgp s ASP 18 Cb -0.37 -1.09 0.04 0.00 1.07 0.00 0.00 42.92 42.57 1wgp s ASP 18 CO 0.56 0.02 1.59 -0.33 1.18 0.00 0.00 175.17 178.19 1wgp h GLU 19 N 2.03 -0.26 -1.02 8.23 5.08 -1.99 0.50 114.58 127.15 1wgp h GLU 19 Ca -0.46 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.17 1wgp h GLU 19 Cb 1.23 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 1wgp h GLU 19 CO 0.60 -0.18 0.67 0.00 -1.00 0.00 0.00 179.01 179.11 1wgp h ARG 20 N -0.27 0.33 0.00 2.33 2.47 -1.99 1.31 114.38 118.55 1wgp h ARG 20 Ca 0.16 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.72 1wgp h ARG 20 Cb 0.55 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 1wgp h ARG 20 CO -0.54 0.22 -0.70 1.25 0.56 0.00 0.00 179.97 180.75 1wgp h LEU 21 N 0.34 0.00 0.51 3.04 5.85 -0.55 -2.30 115.31 122.20 1wgp h LEU 21 Ca 0.56 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.25 1wgp h LEU 21 Cb 1.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1wgp h LEU 21 CO -0.23 0.70 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.27 1wgp h LEU 22 N 0.00 -0.57 -0.56 2.25 -0.00 0.43 -0.72 115.31 116.13 1wgp h LEU 22 Ca -0.01 0.02 0.11 0.00 -0.00 0.00 0.00 57.88 58.01 1wgp h LEU 22 Cb 1.26 0.15 -0.11 0.00 -0.00 0.00 0.00 40.66 41.96 1wgp h LEU 22 CO 0.09 -0.21 -0.14 -0.78 -0.00 0.00 0.00 178.44 177.40 1wgp h ASP 23 N -1.08 -0.52 -0.16 -0.43 3.58 -0.96 1.51 116.42 118.37 1wgp h ASP 23 Ca -0.07 0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.60 1wgp h ASP 23 Cb 0.52 0.35 -0.06 0.00 1.72 0.00 0.00 39.33 41.86 1wgp h ASP 23 CO 0.11 -0.18 -0.20 0.00 -2.88 0.00 0.00 179.24 176.09 1wgp h ALA 24 N 1.56 -0.13 -0.57 -0.78 0.00 -1.45 1.43 119.26 119.33 1wgp h ALA 24 Ca 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1wgp h ALA 24 Cb 0.41 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1wgp h ALA 24 CO -0.58 -0.65 0.25 0.82 0.00 0.00 0.00 179.25 179.09 1wgp h ILE 25 N -0.24 1.20 -0.07 0.00 2.04 0.64 -2.13 117.51 118.95 1wgp h ILE 25 Ca 0.11 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1wgp h ILE 25 Cb 0.40 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1wgp h ILE 25 CO -0.30 0.24 0.02 0.00 0.00 0.00 0.00 178.15 178.10 1wgp h GLU 27 N -0.11 0.00 0.04 0.00 4.39 0.24 0.48 114.58 119.63 1wgp h GLU 27 Ca 0.02 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 1wgp h GLU 27 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1wgp h GLU 27 CO 0.00 0.00 -1.00 0.00 -1.16 0.00 0.00 179.01 176.85 1wgp h ARG 28 N 0.00 0.18 -6.05 2.33 -0.00 -0.69 -3.46 114.38 106.69 1wgp h ARG 28 Ca 0.04 -0.25 -0.78 0.00 -0.50 0.00 0.00 59.98 58.49 1wgp h ARG 28 Cb 0.58 0.08 0.04 0.00 0.00 0.00 0.00 29.97 30.67 1wgp h ARG 28 CO -0.00 1.04 0.27 1.28 0.00 0.00 0.00 179.97 182.56 1wgp n LEU 29 N -3.57 0.57 -4.61 3.04 4.77 0.17 -4.90 117.00 112.47 1wgp n LEU 29 Ca -0.04 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.81 1wgp n LEU 29 Cb 0.89 -0.97 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1wgp n LEU 29 CO 0.49 -1.53 -0.39 -0.54 -1.33 0.00 0.00 177.39 174.10 1wgp s LYS 30 N 0.73 2.21 -0.43 3.23 1.02 -1.22 -4.96 119.74 120.32 1wgp s LYS 30 Ca 0.93 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.51 1wgp s LYS 30 Cb -1.25 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1wgp s LYS 30 CO 0.60 0.47 1.43 -1.25 -0.92 0.00 0.00 175.35 175.67 1wgp s PRO 31 N -2.64 3.52 0.06 -1.68 0.04 -1.26 -3.61 135.00 129.44 1wgp s PRO 31 Ca 0.25 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.96 1wgp s PRO 31 Cb -0.10 -4.05 0.05 0.00 0.04 0.00 0.00 34.50 30.44 1wgp s PRO 31 CO 0.16 -1.63 0.49 0.00 0.04 0.00 0.00 177.00 176.05 1wgp s LEU 33 N -2.12 2.11 -0.10 0.00 0.20 -1.26 -4.47 118.68 113.04 1wgp s LEU 33 Ca -0.04 -0.60 -0.04 0.00 0.69 0.00 0.00 54.13 54.15 1wgp s LEU 33 Cb -0.00 0.32 -0.04 0.00 -0.43 0.00 0.00 46.19 46.04 1wgp s LEU 33 CO -0.04 -0.43 0.04 -0.36 -0.29 0.00 0.00 176.35 175.27 1wgp s PHE 34 N -2.34 3.28 0.08 5.38 0.08 -1.25 -5.07 117.98 118.13 1wgp s PHE 34 Ca -0.08 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.24 1wgp s PHE 34 Cb -0.03 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1wgp s PHE 34 CO -0.04 0.51 0.02 0.25 -0.10 0.00 0.00 175.22 175.86 1wgp n THR 35 N 2.21 0.00 -1.87 0.64 -2.24 -1.26 -3.28 114.28 108.48 1wgp n THR 35 Ca -0.19 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1wgp n THR 35 Cb 0.54 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.30 4.18 -0.74 -0.78 -1.05 -1.26 -2.09 118.70 114.66 1wgp s GLU 36 Ca 0.02 2.47 -0.02 0.00 -0.15 0.00 0.00 54.97 57.28 1wgp s GLU 36 Cb -0.00 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 1wgp s GLU 36 CO 0.01 -0.52 0.28 1.63 0.95 0.00 0.00 175.26 177.61 1wgp n LYS 37 N 1.88 -2.27 -3.69 -4.83 5.02 -1.11 -5.00 118.16 108.16 1wgp n LYS 37 Ca 0.06 0.43 -0.38 0.00 -2.02 0.00 0.00 58.31 56.40 1wgp n LYS 37 Cb 0.39 -4.30 -0.12 0.00 -0.02 0.00 0.00 35.03 30.98 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 -2.86 5.41 -0.26 4.39 0.01 -0.89 -4.96 113.70 114.55 1wgp s SER 38 Ca 0.14 -0.61 -0.18 0.00 1.31 0.00 0.00 55.95 56.60 1wgp s SER 38 Cb -0.06 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 1wgp s SER 38 CO 0.17 -0.20 0.54 -0.31 0.41 0.00 0.00 173.24 173.85 1wgp s TYR 39 N 1.57 3.27 -0.13 2.43 2.02 -1.26 -1.70 117.35 123.55 1wgp s TYR 39 Ca 0.04 0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 57.33 1wgp s TYR 39 Cb -0.17 -2.74 -0.06 0.00 -0.40 0.00 0.00 41.96 38.58 1wgp s TYR 39 CO 0.05 -0.28 0.03 -0.07 -1.57 0.00 0.00 175.55 173.71 1wgp h LEU 40 N 8.78 0.00 -8.44 -1.29 4.07 -1.92 -3.48 115.31 113.02 1wgp h LEU 40 Ca -0.29 -0.17 -0.42 0.00 0.08 0.00 0.00 57.88 57.08 1wgp h LEU 40 Cb 1.14 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.66 1wgp h LEU 40 CO 0.73 0.78 -0.78 0.68 -1.08 0.00 0.00 178.44 178.77 1wgp s VAL 41 N -2.01 1.17 -0.07 1.22 -7.23 -1.26 -4.95 120.40 107.28 1wgp s VAL 41 Ca -0.12 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1wgp s VAL 41 Cb 0.01 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.84 1wgp s VAL 41 CO 0.24 -0.22 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.57 1wgp s ARG 42 N -1.79 1.53 0.01 4.82 3.00 -1.26 -2.85 118.95 122.41 1wgp s ARG 42 Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 55.73 55.08 1wgp s ARG 42 Cb -0.10 -1.33 -0.06 0.00 0.00 0.00 0.00 34.95 33.46 1wgp s ARG 42 CO 0.02 -0.03 1.40 -2.00 0.00 0.00 0.00 175.30 174.69 1wgp s GLU 43 N 0.83 4.29 0.00 3.54 -6.30 -1.25 -2.42 118.70 117.39 1wgp s GLU 43 Ca -0.12 1.97 0.00 0.00 -2.50 0.00 0.00 54.97 54.32 1wgp s GLU 43 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 34.13 30.43 1wgp s GLU 43 CO 0.02 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1wgp n GLY 44 N 3.63 2.98 3.90 -1.50 0.00 -1.26 -4.99 105.19 107.95 1wgp n GLY 44 Ca 0.13 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 0.89 6.32 0.85 1.61 1.11 -1.02 -4.97 116.67 121.47 1wgp s ASP 45 Ca 0.00 0.92 -0.12 0.00 0.18 0.00 0.00 52.55 53.53 1wgp s ASP 45 Cb 0.00 -2.24 0.10 0.00 1.07 0.00 0.00 42.92 41.85 1wgp s ASP 45 CO 0.00 -0.51 1.12 -2.16 1.18 0.00 0.00 175.17 174.80 1wgp s PRO 46 N -4.50 1.62 -0.19 8.23 0.04 -1.26 -3.77 135.00 135.17 1wgp s PRO 46 Ca 0.47 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 1wgp s PRO 46 Cb -0.10 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1wgp s PRO 46 CO 0.41 -1.90 -0.14 0.08 0.04 0.00 0.00 177.00 175.49 1wgp s VAL 47 N -3.22 2.61 -0.13 -0.36 1.01 -0.43 -4.81 120.40 115.08 1wgp s VAL 47 Ca 0.62 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1wgp s VAL 47 Cb -0.15 -2.13 -0.25 0.00 0.00 0.00 0.00 36.38 33.85 1wgp s VAL 47 CO 0.54 0.50 0.40 -1.13 0.00 0.00 0.00 175.10 175.40 1wgp h ASN 48 N 7.90 0.35 -5.06 3.32 -0.73 -1.95 -3.40 115.58 116.00 1wgp h ASN 48 Ca -0.42 -0.85 -0.12 0.00 1.87 0.00 0.00 56.30 56.77 1wgp h ASN 48 Cb 1.16 -0.11 -0.18 0.00 0.27 0.00 0.00 38.32 39.45 1wgp h ASN 48 CO 0.62 1.74 -0.48 -1.83 -0.37 0.00 0.00 177.43 177.11 1wgp s GLU 49 N -2.51 0.60 0.06 6.67 1.03 -1.26 -3.12 118.70 120.18 1wgp s GLU 49 Ca -0.23 -0.66 -0.00 0.00 0.03 0.00 0.00 54.97 54.11 1wgp s GLU 49 Cb 0.06 0.24 -0.04 0.00 -0.80 0.00 0.00 34.13 33.59 1wgp s GLU 49 CO 0.74 -0.16 0.21 1.41 -1.33 0.00 0.00 175.26 176.14 1wgp s MET 50 N -2.39 3.44 -0.19 -4.83 1.75 0.55 -4.85 119.30 112.78 1wgp s MET 50 Ca -0.07 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 1wgp s MET 50 Cb -0.02 -3.03 0.02 0.00 2.84 0.00 0.00 34.83 34.63 1wgp s MET 50 CO -0.03 0.61 -0.18 -0.51 -0.65 0.00 0.00 175.02 174.25 1wgp s LEU 51 N -2.52 2.26 -0.50 4.11 2.01 -1.26 0.19 118.68 122.98 1wgp s LEU 51 Ca 0.35 -0.66 -0.17 0.00 0.01 0.00 0.00 54.13 53.66 1wgp s LEU 51 Cb -0.13 -1.51 0.07 0.00 0.01 0.00 0.00 46.19 44.63 1wgp s LEU 51 CO 0.28 -0.01 0.52 -0.36 1.01 0.00 0.00 176.35 177.79 1wgp s PHE 52 N 1.30 3.14 -0.04 0.29 0.08 -1.12 -4.10 117.98 117.54 1wgp s PHE 52 Ca 0.04 -0.78 -0.31 0.00 0.12 0.00 0.00 56.93 56.01 1wgp s PHE 52 Cb -0.13 -3.41 -0.09 0.00 -0.57 0.00 0.00 43.02 38.81 1wgp s PHE 52 CO -0.12 -0.94 1.98 -0.89 -0.10 0.00 0.00 175.22 175.16 1wgp n ILE 53 N 5.41 0.66 -0.12 0.64 2.08 -1.25 -3.58 119.36 123.19 1wgp n ILE 53 Ca -0.10 -0.17 -0.27 0.00 0.56 0.00 0.00 62.75 62.78 1wgp n ILE 53 Cb 0.44 -2.20 -0.11 0.00 -0.75 0.00 0.00 39.64 37.02 1wgp n ILE 53 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1wgp n ILE 54 N 5.73 1.54 -3.15 1.39 2.08 -1.10 -4.36 119.36 121.49 1wgp n ILE 54 Ca 0.22 -0.32 0.05 0.00 0.56 0.00 0.00 62.75 63.27 1wgp n ILE 54 Cb 0.37 -1.88 -0.01 0.00 -0.75 0.00 0.00 39.64 37.37 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 -2.47 0.29 0.00 0.38 0.52 -0.79 -4.76 118.95 112.13 1wgp s ARG 55 Ca -0.35 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1wgp s ARG 55 Cb 0.12 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.86 1wgp s ARG 55 CO 0.54 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.92 1wgp n GLY 56 N 5.44 -0.60 3.11 -3.53 0.00 -1.26 -2.88 105.19 105.47 1wgp n GLY 56 Ca -0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.68 0.67 0.28 1.61 1.81 -1.26 -4.84 118.95 116.54 1wgp s ARG 57 Ca 0.00 -1.26 -0.21 0.00 -1.72 0.00 0.00 55.73 52.54 1wgp s ARG 57 Cb 0.00 0.16 0.03 0.00 -0.45 0.00 0.00 34.95 34.69 1wgp s ARG 57 CO 0.00 -0.11 0.76 -0.51 -0.68 0.00 0.00 175.30 174.76 1wgp s LEU 58 N -2.95 -0.21 -0.06 2.53 1.02 -1.26 -4.63 118.68 113.11 1wgp s LEU 58 Ca 0.09 -0.66 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1wgp s LEU 58 Cb 0.08 2.68 0.01 0.00 0.02 0.00 0.00 46.19 48.97 1wgp s LEU 58 CO -0.08 -1.34 -0.14 -1.83 0.02 0.00 0.00 176.35 172.98 1wgp s GLU 59 N -3.62 1.81 -0.19 1.70 -1.05 -1.14 -3.64 118.70 112.57 1wgp s GLU 59 Ca 0.12 -0.48 -0.10 0.00 -0.15 0.00 0.00 54.97 54.35 1wgp s GLU 59 Cb -0.05 -1.49 -0.05 0.00 -0.44 0.00 0.00 34.13 32.10 1wgp s GLU 59 CO 0.07 0.08 0.15 0.45 0.95 0.00 0.00 175.26 176.96 1wgp s SER 60 N 0.51 6.25 0.02 0.83 0.15 0.15 -2.25 113.70 119.35 1wgp s SER 60 Ca -0.13 0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.82 1wgp s SER 60 Cb -0.15 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 1wgp s SER 60 CO 0.04 0.19 -0.06 -0.69 1.20 0.00 0.00 173.24 173.92 1wgp s VAL 61 N 0.25 0.45 0.28 4.45 1.01 0.11 -0.19 120.40 126.75 1wgp s VAL 61 Ca 0.10 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.57 1wgp s VAL 61 Cb -0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1wgp s VAL 61 CO -0.01 -0.12 -0.15 0.28 0.00 0.00 0.00 175.10 175.10 1wgp s THR 62 N -0.71 2.17 0.01 3.92 -1.32 -1.22 -0.92 115.64 117.58 1wgp s THR 62 Ca -0.04 -2.29 0.00 0.00 -1.21 0.00 0.00 61.69 58.15 1wgp s THR 62 Cb -0.06 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1wgp s THR 62 CO 0.00 -0.39 0.00 0.35 -2.21 0.00 0.00 174.62 172.37 1wgp n THR 63 N -0.60 0.11 -2.44 5.08 -2.24 -1.26 -3.93 114.28 109.00 1wgp n THR 63 Ca -0.06 0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1wgp n THR 63 Cb 0.61 -1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.42 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 -5.09 7.21 1.19 3.42 2.15 -1.26 -4.71 116.67 119.58 1wgp s ASP 64 Ca 0.00 2.29 0.00 0.00 0.43 0.00 0.00 52.55 55.27 1wgp s ASP 64 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1wgp s ASP 64 CO 0.00 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1wgp n GLY 65 N 1.32 1.31 0.73 2.66 0.00 -1.26 -5.04 105.19 104.91 1wgp n GLY 65 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -2.94 3.64 -0.02 0.00 -1.26 -4.90 105.19 99.71 1wgp n GLY 66 Ca 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.54 0.47 -0.18 1.61 3.52 -1.26 -5.07 118.95 117.50 1wgp s ARG 67 Ca 0.00 0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 56.17 1wgp s ARG 67 Cb 0.00 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1wgp s ARG 67 CO 0.00 -0.06 0.07 0.43 -0.81 0.00 0.00 175.30 174.92 1wgp n SER 68 N 2.49 -5.65 0.00 -2.12 7.64 -1.26 -4.71 113.62 110.00 1wgp n SER 68 Ca -0.14 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1wgp n SER 68 Cb 0.56 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1wgp n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 69 N 1.33 0.85 3.28 0.23 0.00 -1.26 -4.97 105.19 104.66 1wgp n GLY 69 Ca -0.11 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1wgp n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgp s PHE 70 N 0.00 -0.19 -0.09 1.61 0.08 -1.26 -5.05 117.98 113.08 1wgp s PHE 70 Ca 0.00 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.18 1wgp s PHE 70 Cb 0.00 0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.61 1wgp s PHE 70 CO 0.00 -0.50 0.09 0.66 -0.10 0.00 0.00 175.22 175.37 1wgp n TYR 71 N 0.76 -1.86 -2.62 0.36 4.02 -1.26 -4.80 117.16 111.76 1wgp n TYR 71 Ca -0.19 1.05 -0.42 0.00 -0.01 0.00 0.00 57.90 58.32 1wgp n TYR 71 Cb 0.58 -2.23 -0.03 0.00 -0.02 0.00 0.00 39.34 37.65 1wgp n TYR 71 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1wgp s ASN 72 N -0.42 6.48 0.26 7.72 2.47 -1.25 -4.87 114.94 125.32 1wgp s ASN 72 Ca -0.11 0.14 -0.21 0.00 0.42 0.00 0.00 52.86 53.10 1wgp s ASN 72 Cb 0.01 -2.54 -0.09 0.00 -1.45 0.00 0.00 41.25 37.18 1wgp s ASN 72 CO 0.33 -1.39 0.79 -0.13 -3.72 0.00 0.00 177.10 172.98 1wgp s ARG 73 N 4.70 4.32 0.29 0.43 0.52 -1.26 -3.37 118.95 124.58 1wgp s ARG 73 Ca 0.43 0.98 -0.18 0.00 -0.52 0.00 0.00 55.73 56.44 1wgp s ARG 73 Cb -0.08 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.60 1wgp s ARG 73 CO 0.26 0.34 0.67 -1.12 0.02 0.00 0.00 175.30 175.47 1wgp s SER 74 N -1.70 -0.13 0.16 0.23 0.01 0.74 -5.00 113.70 108.00 1wgp s SER 74 Ca 0.46 -0.81 0.09 0.00 1.31 0.00 0.00 55.95 57.01 1wgp s SER 74 Cb -0.16 0.72 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 1wgp s SER 74 CO 0.21 -1.37 -0.20 -0.22 0.41 0.00 0.00 173.24 172.07 1wgp s LEU 75 N -2.98 2.41 0.07 2.44 2.96 -1.26 0.30 118.68 122.62 1wgp s LEU 75 Ca 0.15 -0.83 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 1wgp s LEU 75 Cb -0.05 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1wgp s LEU 75 CO 0.09 0.03 0.02 -0.76 -1.32 0.00 0.00 176.35 174.41 1wgp s LEU 76 N -2.52 3.56 0.00 -0.68 1.43 -1.24 -4.85 118.68 114.38 1wgp s LEU 76 Ca 0.15 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1wgp s LEU 76 Cb -0.07 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.96 1wgp s LEU 76 CO 0.07 0.19 0.27 2.29 0.23 0.00 0.00 176.35 179.40 1wgp n LYS 77 N 0.68 -0.06 -2.71 1.70 2.85 -1.26 -4.66 118.16 114.71 1wgp n LYS 77 Ca -0.11 -0.49 -0.41 0.00 -1.05 0.00 0.00 58.31 56.25 1wgp n LYS 77 Cb 0.52 -0.25 -0.05 0.00 -0.65 0.00 0.00 35.03 34.60 1wgp n LYS 77 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1wgp s GLU 78 N -3.44 4.73 0.00 -1.58 2.56 -1.26 -3.17 118.70 116.54 1wgp s GLU 78 Ca 0.16 1.50 0.00 0.00 0.00 0.00 0.00 54.97 56.63 1wgp s GLU 78 Cb -0.01 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.79 1wgp s GLU 78 CO 0.11 0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.50 1wgp n GLY 79 N 1.99 0.68 3.71 -1.50 0.00 -1.26 -5.02 105.19 103.79 1wgp n GLY 79 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.07 7.06 0.01 1.61 1.47 -1.19 -4.88 116.67 118.68 1wgp s ASP 80 Ca 0.00 2.05 0.04 0.00 1.18 0.00 0.00 52.55 55.82 1wgp s ASP 80 Cb 0.00 -2.58 -0.03 0.00 -0.34 0.00 0.00 42.92 39.97 1wgp s ASP 80 CO 0.00 -0.48 -0.09 0.72 0.68 0.00 0.00 175.17 176.00 1wgp s PHE 81 N 1.03 2.82 0.39 2.11 -0.12 -1.26 -3.95 117.98 118.99 1wgp s PHE 81 Ca 0.59 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 57.46 1wgp s PHE 81 Cb -0.30 -1.57 -0.05 0.00 -0.63 0.00 0.00 43.02 40.46 1wgp s PHE 81 CO 0.29 0.35 0.16 0.00 -0.05 0.00 0.00 175.22 175.97 1wgp n GLY 83 N -1.20 -0.47 0.34 0.00 0.00 -1.26 -4.57 105.19 98.03 1wgp n GLY 83 Ca -0.02 0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.33 0.00 -0.84 1.61 3.04 -1.91 0.26 116.42 118.25 1wgp h ASP 84 Ca -0.22 0.00 0.24 0.00 -3.24 0.00 0.00 57.03 53.81 1wgp h ASP 84 Cb 1.14 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.40 1wgp h ASP 84 CO 0.32 0.00 0.60 -0.33 -2.04 0.00 0.00 179.24 177.79 1wgp h GLU 85 N 0.00 0.04 -0.27 4.15 4.39 -1.84 0.19 114.58 121.25 1wgp h GLU 85 Ca 0.06 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1wgp h GLU 85 Cb 0.43 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1wgp h GLU 85 CO -0.00 0.03 0.14 1.25 -1.16 0.00 0.00 179.01 179.27 1wgp h LEU 86 N 0.05 0.21 -0.57 1.33 5.85 -1.25 0.40 115.31 121.33 1wgp h LEU 86 Ca 0.40 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.25 1wgp h LEU 86 Cb 1.54 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.43 1wgp h LEU 86 CO -0.02 0.16 -0.21 0.25 -0.34 0.00 0.00 178.44 178.28 1wgp h LEU 87 N 0.29 -0.74 -0.42 2.25 5.85 -0.78 0.12 115.31 121.88 1wgp h LEU 87 Ca 0.11 0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 1wgp h LEU 87 Cb 0.02 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1wgp h LEU 87 CO -0.07 -0.24 -0.04 0.74 -0.34 0.00 0.00 178.44 178.49 1wgp h THR 88 N -0.07 1.27 -0.40 1.05 2.02 -1.38 -1.73 112.91 113.66 1wgp h THR 88 Ca 0.26 -1.10 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1wgp h THR 88 Cb 0.48 1.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 1wgp h THR 88 CO -0.62 0.37 -0.49 -0.25 0.37 0.00 0.00 175.52 174.90 1wgp h TRP 89 N 0.59 -1.47 -0.98 3.16 7.01 0.21 1.61 115.95 126.09 1wgp h TRP 89 Ca 0.11 0.08 0.06 0.00 2.11 0.00 0.00 58.89 61.25 1wgp h TRP 89 Cb 0.54 0.70 -0.07 0.00 -2.10 0.00 0.00 29.16 28.24 1wgp h TRP 89 CO 0.04 -0.47 0.63 0.00 -2.79 0.00 0.00 178.44 175.85 1wgp h ALA 90 N 0.19 1.35 0.00 2.65 0.00 -0.80 0.55 119.26 123.20 1wgp h ALA 90 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wgp h ALA 90 Cb 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wgp h ALA 90 CO -0.58 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1wgp n LEU 91 N -4.52 0.59 -4.02 0.00 4.32 0.14 -4.10 117.00 109.42 1wgp n LEU 91 Ca 0.15 0.66 -0.32 0.00 -0.02 0.00 0.00 56.01 56.48 1wgp n LEU 91 Cb 0.18 -0.60 -0.14 0.00 -1.62 0.00 0.00 43.42 41.24 1wgp n LEU 91 CO 0.32 -0.58 -0.25 -1.81 -1.22 0.00 0.00 177.39 173.85 1wgp s ASP 92 N -4.10 4.75 0.17 -1.43 1.11 0.51 -4.94 116.67 112.74 1wgp s ASP 92 Ca 0.04 -2.39 0.01 0.00 0.18 0.00 0.00 52.55 50.39 1wgp s ASP 92 Cb 0.09 -1.67 0.04 0.00 1.07 0.00 0.00 42.92 42.44 1wgp s ASP 92 CO 0.35 -0.36 1.41 1.55 1.18 0.00 0.00 175.17 179.30 1wgp h PRO 93 N 7.36 0.26 -0.86 8.23 0.13 -1.71 -3.11 132.00 142.30 1wgp h PRO 93 Ca -0.06 -0.25 0.14 0.00 -0.87 0.00 0.00 66.00 64.96 1wgp h PRO 93 Cb 0.99 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1wgp h PRO 93 CO 0.60 0.94 0.56 0.87 -0.23 0.00 0.00 178.00 180.73 1wgp h LYS 94 N 0.16 0.62 -5.95 0.86 1.79 -1.92 -3.33 116.57 108.80 1wgp h LYS 94 Ca -0.04 -0.04 -0.45 0.00 -2.18 0.00 0.00 60.65 57.94 1wgp h LYS 94 Cb 1.42 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 31.86 1wgp h LYS 94 CO 0.13 0.41 1.11 -1.12 -1.08 0.00 0.00 179.45 178.90 1wgp s SER 95 N -5.82 5.75 -0.47 0.86 0.01 -1.18 -4.79 113.70 108.07 1wgp s SER 95 Ca -0.09 -0.84 0.04 0.00 1.31 0.00 0.00 55.95 56.37 1wgp s SER 95 Cb 0.22 -2.56 0.42 0.00 0.21 0.00 0.00 66.02 64.30 1wgp s SER 95 CO 0.78 -2.16 1.22 0.61 0.41 0.00 0.00 173.24 174.10 1wgp n GLY 96 N 6.61 6.01 2.72 3.44 0.00 -1.25 -4.86 105.19 117.85 1wgp n GLY 96 Ca 0.32 -2.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.29 1wgp n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgp n SER 97 N -0.52 5.06 -1.33 1.61 7.64 -1.26 -5.04 113.62 119.77 1wgp n SER 97 Ca 0.41 -3.55 0.17 0.00 1.01 0.00 0.00 58.87 56.92 1wgp n SER 97 Cb 0.65 -0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1wgp n SER 97 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wgp n ASN 98 N 0.49 -8.01 -4.46 6.43 2.85 -1.26 -4.80 115.26 106.50 1wgp n ASN 98 Ca 0.32 0.96 -0.34 0.00 -0.11 0.00 0.00 54.58 55.41 1wgp n ASN 98 Cb 0.37 -4.32 0.11 0.00 1.24 0.00 0.00 39.78 37.17 1wgp n ASN 98 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1wgp n LEU 99 N -4.18 0.60 0.00 1.20 4.77 -1.26 -4.98 117.00 113.15 1wgp n LEU 99 Ca -0.04 0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 56.16 1wgp n LEU 99 Cb 0.62 -1.24 0.17 0.00 -2.33 0.00 0.00 43.42 40.64 1wgp n LEU 99 CO 0.03 -3.27 0.54 -0.81 -1.33 0.00 0.00 177.39 172.55 1wgp n PRO 100 N -1.58 -1.75 -4.44 3.23 -0.04 -1.26 -4.66 135.00 124.51 1wgp n PRO 100 Ca 0.08 -1.38 -0.24 0.00 -0.04 0.00 0.00 63.50 61.92 1wgp n PRO 100 Cb 0.52 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 1wgp n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgp s SER 101 N -4.10 3.38 0.58 3.54 0.15 -1.26 -1.31 113.70 114.67 1wgp s SER 101 Ca 0.53 -1.00 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 1wgp s SER 101 Cb -0.03 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1wgp s SER 101 CO 0.39 0.02 0.90 -0.55 1.20 0.00 0.00 173.24 175.20 1wgp s SER 102 N -3.31 5.80 0.01 5.45 0.15 -1.25 -4.69 113.70 115.86 1wgp s SER 102 Ca 0.27 0.87 0.12 0.00 0.70 0.00 0.00 55.95 57.91 1wgp s SER 102 Cb -0.05 -1.93 -0.20 0.00 -1.71 0.00 0.00 66.02 62.13 1wgp s SER 102 CO 0.13 -0.95 0.81 0.71 1.20 0.00 0.00 173.24 175.13 1wgp h THR 103 N -0.13 0.92 -3.31 6.45 1.35 -1.96 -3.40 112.91 112.82 1wgp h THR 103 Ca -0.46 -2.68 -0.04 0.00 -0.55 0.00 0.00 66.41 62.68 1wgp h THR 103 Cb 1.24 2.42 -0.04 0.00 -1.73 0.00 0.00 68.15 70.03 1wgp h THR 103 CO 0.61 0.52 0.11 0.00 -0.25 0.00 0.00 175.52 176.52 1wgp s ARG 104 N -2.68 1.92 -0.34 4.72 3.03 -1.26 -4.95 118.95 119.39 1wgp s ARG 104 Ca -0.03 -1.33 -0.11 0.00 2.03 0.00 0.00 55.73 56.29 1wgp s ARG 104 Cb 0.08 0.56 0.00 0.00 -1.03 0.00 0.00 34.95 34.57 1wgp s ARG 104 CO 0.82 -0.86 0.21 0.99 -1.13 0.00 0.00 175.30 175.32 1wgp s THR 105 N -3.22 4.85 0.10 4.99 2.01 -0.10 -3.82 115.64 120.44 1wgp s THR 105 Ca 0.18 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1wgp s THR 105 Cb -0.04 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1wgp s THR 105 CO 0.11 -0.07 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 1wgp s VAL 106 N 1.64 3.50 0.25 3.82 1.01 -1.13 0.04 120.40 129.52 1wgp s VAL 106 Ca 0.04 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1wgp s VAL 106 Cb -0.18 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1wgp s VAL 106 CO 0.08 0.12 0.14 -0.75 0.00 0.00 0.00 175.10 174.69 1wgp s LYS 107 N -2.20 1.39 -0.31 2.72 2.20 -0.96 -3.26 119.74 119.33 1wgp s LYS 107 Ca 0.22 -1.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.02 1wgp s LYS 107 Cb -0.11 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.27 1wgp s LYS 107 CO 0.14 -0.39 0.05 0.00 -0.36 0.00 0.00 175.35 174.79 1wgp s ALA 108 N -3.86 2.95 -0.13 3.13 0.00 -0.69 -2.90 121.76 120.27 1wgp s ALA 108 Ca 0.38 -1.64 0.19 0.00 0.00 0.00 0.00 51.96 50.89 1wgp s ALA 108 Cb 0.06 -2.09 -0.21 0.00 0.00 0.00 0.00 23.12 20.89 1wgp s ALA 108 CO 0.15 -1.15 0.56 1.28 0.00 0.00 0.00 175.76 176.60 1wgp n LEU 109 N 4.77 0.43 -4.24 0.00 4.32 -1.26 -2.75 117.00 118.27 1wgp n LEU 109 Ca -0.14 0.19 -0.13 0.00 -0.02 0.00 0.00 56.01 55.91 1wgp n LEU 109 Cb 0.46 0.16 -0.10 0.00 -1.62 0.00 0.00 43.42 42.31 1wgp n LEU 109 CO 0.30 0.18 -0.32 0.28 -1.22 0.00 0.00 177.39 176.61 1wgp s THR 110 N -2.98 0.62 -0.24 -5.08 -1.32 -1.26 -4.86 115.64 100.51 1wgp s THR 110 Ca -0.06 -1.98 -0.34 0.00 -1.21 0.00 0.00 61.69 58.10 1wgp s THR 110 Cb 0.09 -2.16 -0.11 0.00 -1.51 0.00 0.00 72.50 68.81 1wgp s THR 110 CO 0.84 -0.43 2.06 1.21 -2.21 0.00 0.00 174.62 176.10 1wgp n GLU 111 N -0.25 1.59 -4.05 7.08 2.13 -1.26 -4.81 120.64 121.06 1wgp n GLU 111 Ca -0.06 0.50 -0.28 0.00 0.66 0.00 0.00 57.16 57.98 1wgp n GLU 111 Cb 0.64 -2.63 -0.06 0.00 0.27 0.00 0.00 31.44 29.66 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 6.18 4.59 -0.25 6.31 1.01 -1.21 -4.62 120.40 132.42 1wgp s VAL 112 Ca 1.02 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1wgp s VAL 112 Cb -0.73 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1wgp s VAL 112 CO 0.49 0.01 0.01 -1.61 0.00 0.00 0.00 175.10 174.00 1wgp s GLU 113 N -2.76 1.14 0.33 2.72 8.01 -1.14 -3.89 118.70 123.11 1wgp s GLU 113 Ca 0.31 -0.91 -0.18 0.00 0.01 0.00 0.00 54.97 54.19 1wgp s GLU 113 Cb -0.11 -2.37 0.04 0.00 -4.31 0.00 0.00 34.13 27.38 1wgp s GLU 113 CO 0.23 -0.72 0.77 0.00 0.01 0.00 0.00 175.26 175.56 1wgp s ALA 114 N 1.54 -0.99 0.46 5.21 0.00 -1.26 -1.88 121.76 124.83 1wgp s ALA 114 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1wgp s ALA 114 Cb -0.18 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1wgp s ALA 114 CO -0.11 -1.01 0.29 -0.06 0.00 0.00 0.00 175.76 174.87 1wgp s PHE 115 N -3.00 2.31 0.23 0.00 0.08 -1.23 -4.49 117.98 111.88 1wgp s PHE 115 Ca 0.14 -0.65 0.09 0.00 0.12 0.00 0.00 56.93 56.62 1wgp s PHE 115 Cb -0.05 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1wgp s PHE 115 CO 0.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 175.22 175.12 1wgp s ALA 116 N -2.63 3.16 -0.11 5.36 0.00 -1.24 -2.78 121.76 123.53 1wgp s ALA 116 Ca 0.39 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 1wgp s ALA 116 Cb 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.32 1wgp s ALA 116 CO 0.23 0.36 0.23 -1.17 0.00 0.00 0.00 175.76 175.41 1wgp s LEU 117 N -3.34 -0.10 0.16 0.00 1.98 0.13 -3.37 118.68 114.13 1wgp s LEU 117 Ca 0.29 0.52 -0.19 0.00 -2.89 0.00 0.00 54.13 51.86 1wgp s LEU 117 Cb -0.08 0.61 -0.07 0.00 0.66 0.00 0.00 46.19 47.30 1wgp s LEU 117 CO 0.19 -0.23 0.64 -0.51 -1.89 0.00 0.00 176.35 174.56 1wgp s ILE 118 N 2.15 4.67 0.05 6.68 2.07 -1.26 0.21 121.20 135.76 1wgp s ILE 118 Ca -0.01 1.19 -0.24 0.00 -1.41 0.00 0.00 60.65 60.19 1wgp s ILE 118 Cb -0.12 -3.87 -0.17 0.00 0.13 0.00 0.00 42.46 38.44 1wgp s ILE 118 CO -0.08 0.34 1.55 0.00 -1.91 0.00 0.00 174.94 174.84 1wgp h ALA 119 N 3.83 0.01 -0.05 1.50 0.00 -1.90 -1.88 119.26 120.77 1wgp h ALA 119 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wgp h ALA 119 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1wgp h ALA 119 CO 0.65 -0.39 -0.03 -0.44 0.00 0.00 0.00 179.25 179.04 1wgp h ASP 120 N -0.19 -0.11 -1.01 0.00 3.32 -1.94 1.56 116.42 118.05 1wgp h ASP 120 Ca 0.00 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.31 1wgp h ASP 120 Cb 0.20 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 39.70 1wgp h ASP 120 CO -0.00 -0.01 0.64 -0.33 -1.72 0.00 0.00 179.24 177.82 1wgp h GLU 121 N -0.00 0.48 0.02 3.56 4.39 -1.98 0.24 114.58 121.29 1wgp h GLU 121 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wgp h GLU 121 Cb 0.02 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1wgp h GLU 121 CO -0.05 0.31 -0.01 1.25 -1.16 0.00 0.00 179.01 179.36 1wgp h LEU 122 N 0.49 -0.03 -0.89 1.33 6.46 0.12 -1.18 115.31 121.61 1wgp h LEU 122 Ca 0.59 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 58.56 1wgp h LEU 122 Cb 1.32 0.01 -0.16 0.00 -0.73 0.00 0.00 40.66 41.09 1wgp h LEU 122 CO -0.33 -0.02 -0.08 0.50 -0.62 0.00 0.00 178.44 177.90 1wgp h LYS 123 N -0.04 0.03 -0.01 1.25 3.64 0.24 1.29 116.57 122.98 1wgp h LYS 123 Ca -0.00 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1wgp h LYS 123 Cb 0.02 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1wgp h LYS 123 CO 0.01 0.02 -0.46 0.35 -2.27 0.00 0.00 179.45 177.10 1wgp h PHE 124 N 0.03 -1.34 0.00 1.91 3.04 -0.49 1.52 116.94 121.60 1wgp h PHE 124 Ca 0.48 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.45 1wgp h PHE 124 Cb 0.87 0.59 -0.00 0.00 2.56 0.00 0.00 35.95 39.96 1wgp h PHE 124 CO -0.56 -0.49 -0.14 -0.24 -2.02 0.00 0.00 178.31 174.86 1wgp h VAL 125 N -0.56 0.83 0.62 1.41 3.04 0.39 0.18 116.25 122.16 1wgp h VAL 125 Ca 0.01 -0.55 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 1wgp h VAL 125 Cb 0.61 1.32 0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1wgp h VAL 125 CO -0.31 0.14 -0.30 0.00 -1.01 0.00 0.00 177.57 176.09 1wgp h ALA 126 N 1.86 -0.86 0.20 3.17 0.00 0.38 -2.77 119.26 121.24 1wgp h ALA 126 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wgp h ALA 126 Cb 0.31 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wgp h ALA 126 CO 0.02 -0.80 -0.15 1.03 0.00 0.00 0.00 179.25 179.35 1wgp h SER 127 N -1.20 -0.39 -0.94 0.00 0.87 0.22 0.14 113.55 112.26 1wgp h SER 127 Ca -0.09 0.03 0.25 0.00 -1.23 0.00 0.00 61.79 60.75 1wgp h SER 127 Cb 0.64 0.13 -0.17 0.00 -0.44 0.00 0.00 62.40 62.55 1wgp h SER 127 CO 0.14 -0.24 -0.01 0.00 -0.53 0.00 0.00 176.83 176.19 1wgp n GLN 128 N -5.27 -0.08 0.04 2.24 6.02 0.61 -0.74 117.38 120.19 1wgp n GLN 128 Ca -0.08 1.41 -0.09 0.00 -0.01 0.00 0.00 57.00 58.23 1wgp n GLN 128 Cb 0.19 -2.22 -0.06 0.00 1.02 0.00 0.00 30.24 29.17 1wgp n GLN 128 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1wgp h PHE 129 N 0.00 -0.18 -6.39 1.08 3.57 -1.13 -3.49 116.94 110.40 1wgp h PHE 129 Ca 0.55 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.91 1wgp h PHE 129 Cb 1.11 0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.92 1wgp h PHE 129 CO -0.50 0.21 -1.07 0.54 -2.23 0.00 0.00 178.31 175.25 1wgp n ARG 130 N -4.89 -0.99 -3.71 1.11 1.74 0.43 -4.96 116.66 105.39 1wgp n ARG 130 Ca -0.06 1.09 -0.30 0.00 -0.77 0.00 0.00 57.85 57.80 1wgp n ARG 130 Cb 0.23 -1.56 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 1wgp n ARG 130 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wgp s ARG 131 N -1.57 0.94 0.20 5.56 1.81 -1.26 -4.90 118.95 119.73 1wgp s ARG 131 Ca 0.14 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.68 1wgp s ARG 131 Cb -0.02 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.39 1wgp s ARG 131 CO 0.35 -1.07 0.00 0.45 -0.68 0.00 0.00 175.30 174.35 1wgp n SER 132 N 4.27 -0.29 -0.17 0.23 2.88 -1.26 -5.03 113.62 114.25 1wgp n SER 132 Ca 0.03 0.34 0.01 0.00 -1.33 0.00 0.00 58.87 57.93 1wgp n SER 132 Cb 0.39 0.43 -0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1wgp n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 133 N 1.32 -2.06 2.38 0.46 0.00 -1.26 -4.16 105.19 101.86 1wgp n GLY 133 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 1wgp n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgp n PRO 134 N -0.81 2.40 -3.17 1.61 -0.04 -1.26 -4.70 135.00 129.04 1wgp n PRO 134 Ca 0.00 -1.47 -0.11 0.00 -0.04 0.00 0.00 63.50 61.88 1wgp n PRO 134 Cb 0.04 -2.39 0.01 0.00 -0.04 0.00 0.00 33.50 31.13 1wgp n PRO 134 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgp n SER 135 N 3.55 -5.99 -4.56 3.54 7.64 -1.26 -4.93 113.62 111.60 1wgp n SER 135 Ca 0.51 0.23 -0.34 0.00 1.01 0.00 0.00 58.87 60.28 1wgp n SER 135 Cb 0.33 -1.51 -0.11 0.00 -1.01 0.00 0.00 64.21 61.91 1wgp n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgp s SER 136 N -1.08 4.98 0.00 6.43 1.04 -1.26 -5.25 113.70 118.56 1wgp s SER 136 Ca 0.10 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1wgp s SER 136 Cb -0.01 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.42 1wgp s SER 136 CO 0.23 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.29