#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgp s SER 2 N 0.00 1.21 0.19 1.61 0.01 -1.26 -5.14 113.70 110.31 1wgp s SER 2 Ca 0.00 -0.80 0.09 0.00 1.31 0.00 0.00 55.95 56.55 1wgp s SER 2 Cb 0.00 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 1wgp s SER 2 CO 0.00 -0.36 -0.18 -0.55 0.41 0.00 0.00 173.24 172.57 1wgp s SER 3 N 2.25 2.79 0.00 2.44 0.15 -1.26 -4.96 113.70 115.11 1wgp s SER 3 Ca 0.11 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1wgp s SER 3 Cb -0.14 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1wgp s SER 3 CO -0.27 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1wgp n GLY 4 N 0.03 0.79 2.08 9.45 0.00 -1.26 -5.10 105.19 111.18 1wgp n GLY 4 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1wgp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgp n SER 5 N 0.00 -1.50 0.00 1.61 2.88 -1.26 -5.16 113.62 110.19 1wgp n SER 5 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1wgp n SER 5 Cb 0.00 1.58 0.00 0.00 -0.75 0.00 0.00 64.21 65.04 1wgp n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgp n SER 6 N -3.04 0.00 -0.04 -3.46 7.64 -1.26 -5.04 113.62 108.43 1wgp n SER 6 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1wgp n SER 6 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1wgp n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 7 N -0.16 3.86 2.45 0.23 0.00 -1.26 -4.82 105.19 105.49 1wgp n GLY 7 Ca 0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1wgp n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wgp n VAL 8 N -0.96 4.98 -2.48 1.61 0.31 -1.26 -4.82 118.33 115.70 1wgp n VAL 8 Ca 0.08 -3.88 -0.39 0.00 -0.01 0.00 0.00 64.34 60.14 1wgp n VAL 8 Cb 0.45 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.14 1wgp n VAL 8 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wgp s ARG 9 N -0.24 3.56 -1.49 5.55 0.52 -1.26 -4.04 118.95 121.55 1wgp s ARG 9 Ca 0.58 -1.42 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 1wgp s ARG 9 Cb 0.18 -5.40 0.08 0.00 0.52 0.00 0.00 34.95 30.33 1wgp s ARG 9 CO -0.08 -2.51 0.80 0.54 0.02 0.00 0.00 175.30 174.07 1wgp n ARG 10 N 8.62 -4.72 -2.39 3.54 5.12 -1.26 -4.90 116.66 120.67 1wgp n ARG 10 Ca 0.41 0.58 -0.40 0.00 -1.93 0.00 0.00 57.85 56.51 1wgp n ARG 10 Cb 0.48 -5.41 -0.04 0.00 -1.16 0.00 0.00 32.46 26.33 1wgp n ARG 10 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1wgp s VAL 11 N -3.19 3.30 0.19 1.55 1.01 -1.26 -4.94 120.40 117.06 1wgp s VAL 11 Ca 0.57 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1wgp s VAL 11 Cb -0.29 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 1wgp s VAL 11 CO 0.70 0.31 1.43 1.55 0.00 0.00 0.00 175.10 179.09 1wgp h PRO 12 N 3.73 0.19 -0.45 2.72 0.13 -1.98 -3.32 132.00 133.02 1wgp h PRO 12 Ca -0.47 -0.18 0.04 0.00 -0.87 0.00 0.00 66.00 64.52 1wgp h PRO 12 Cb 1.21 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1wgp h PRO 12 CO 0.67 0.89 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.94 1wgp h LEU 13 N 0.12 -1.15 -5.03 1.56 3.38 -2.02 -0.50 115.31 111.67 1wgp h LEU 13 Ca -0.03 0.17 -0.54 0.00 0.09 0.00 0.00 57.88 57.57 1wgp h LEU 13 Cb 1.40 0.50 0.02 0.00 0.09 0.00 0.00 40.66 42.66 1wgp h LEU 13 CO 0.12 -0.16 3.10 0.49 0.09 0.00 0.00 178.44 182.08 1wgp n PHE 14 N -4.23 1.88 -0.04 1.13 3.72 -1.25 -4.45 117.46 114.22 1wgp n PHE 14 Ca 0.00 -2.61 -0.11 0.00 -0.05 0.00 0.00 57.45 54.68 1wgp n PHE 14 Cb 0.16 -2.17 -0.10 0.00 -0.94 0.00 0.00 39.48 36.43 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 5.18 -0.03 0.00 -1.08 4.39 -1.29 -3.37 114.58 118.38 1wgp h GLU 15 Ca 0.70 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.40 1wgp h GLU 15 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1wgp h GLU 15 CO 1.54 0.68 -1.37 0.27 -1.16 0.00 0.00 179.01 178.97 1wgp n ASN 16 N -4.70 0.68 -4.62 1.42 6.94 -1.26 -4.92 115.26 108.80 1wgp n ASN 16 Ca -0.08 -0.53 -0.43 0.00 -0.02 0.00 0.00 54.58 53.52 1wgp n ASN 16 Cb 0.35 1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 39.16 1wgp n ASN 16 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1wgp s MET 17 N -3.10 3.51 0.60 -3.83 -1.94 -1.26 -4.95 119.30 108.32 1wgp s MET 17 Ca 0.01 1.99 -0.16 0.00 -1.71 0.00 0.00 55.69 55.82 1wgp s MET 17 Cb 0.14 -4.24 -0.03 0.00 2.01 0.00 0.00 34.83 32.71 1wgp s MET 17 CO 0.82 -1.67 1.07 -0.51 -0.01 0.00 0.00 175.02 174.72 1wgp s ASP 18 N 6.35 5.71 0.22 3.03 1.01 -1.26 -4.83 116.67 126.91 1wgp s ASP 18 Ca 0.89 1.85 -0.11 0.00 0.71 0.00 0.00 52.55 55.89 1wgp s ASP 18 Cb -0.32 -2.54 0.31 0.00 1.01 0.00 0.00 42.92 41.38 1wgp s ASP 18 CO 0.35 -1.22 1.64 -0.33 0.21 0.00 0.00 175.17 175.82 1wgp h GLU 19 N 0.43 0.05 -1.18 8.23 5.08 -1.98 0.53 114.58 125.75 1wgp h GLU 19 Ca -0.47 -0.00 0.36 0.00 -1.00 0.00 0.00 59.36 58.25 1wgp h GLU 19 Cb 1.22 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1wgp h GLU 19 CO 0.57 0.03 0.74 0.00 -1.00 0.00 0.00 179.01 179.36 1wgp h ARG 20 N 0.05 0.21 -0.02 2.33 2.47 -1.99 1.69 114.38 119.13 1wgp h ARG 20 Ca 0.34 -0.01 -0.24 0.00 -1.26 0.00 0.00 59.98 58.81 1wgp h ARG 20 Cb 0.56 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1wgp h ARG 20 CO -0.64 0.14 -0.95 1.25 0.56 0.00 0.00 179.97 180.34 1wgp h LEU 21 N 0.21 0.69 0.46 3.04 5.85 -0.31 -1.79 115.31 123.46 1wgp h LEU 21 Ca 0.74 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1wgp h LEU 21 Cb 2.10 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1wgp h LEU 21 CO -0.42 1.33 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.72 1wgp h LEU 22 N 0.32 -0.52 -0.51 2.25 -0.00 0.30 0.18 115.31 117.32 1wgp h LEU 22 Ca -0.09 -0.07 0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1wgp h LEU 22 Cb 1.58 0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 42.31 1wgp h LEU 22 CO 0.17 -0.22 0.16 -0.78 -0.00 0.00 0.00 178.44 177.77 1wgp h ASP 23 N -0.83 0.12 -0.70 -0.43 3.58 0.05 1.51 116.42 119.72 1wgp h ASP 23 Ca -0.06 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1wgp h ASP 23 Cb 0.56 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 1wgp h ASP 23 CO 0.10 0.09 0.46 0.00 -2.88 0.00 0.00 179.24 177.02 1wgp h ALA 24 N 1.36 1.58 0.00 -0.78 0.00 -1.21 0.48 119.26 120.69 1wgp h ALA 24 Ca 0.25 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1wgp h ALA 24 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wgp h ALA 24 CO -0.28 0.36 -0.81 0.82 0.00 0.00 0.00 179.25 179.34 1wgp h ILE 25 N 0.87 1.50 0.32 0.00 2.04 0.21 -3.00 117.51 119.44 1wgp h ILE 25 Ca 0.27 -2.83 -0.02 0.00 1.00 0.00 0.00 64.86 63.29 1wgp h ILE 25 Cb 0.02 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1wgp h ILE 25 CO -0.07 0.79 -0.15 0.00 0.00 0.00 0.00 178.15 178.71 1wgp h GLU 27 N -0.88 0.00 -0.23 0.00 4.11 -0.21 0.82 114.58 118.18 1wgp h GLU 27 Ca -0.04 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.26 1wgp h GLU 27 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1wgp h GLU 27 CO 0.07 0.00 -0.40 0.00 0.07 0.00 0.00 179.01 178.75 1wgp h ARG 28 N 0.00 0.54 -5.99 1.06 -0.00 -1.36 -3.44 114.38 105.19 1wgp h ARG 28 Ca 0.38 -0.27 -0.82 0.00 -0.50 0.00 0.00 59.98 58.76 1wgp h ARG 28 Cb 1.66 0.00 0.04 0.00 0.00 0.00 0.00 29.97 31.67 1wgp h ARG 28 CO -0.00 0.85 0.29 1.28 0.00 0.00 0.00 179.97 182.38 1wgp n LEU 29 N -4.03 0.44 -4.79 3.04 4.77 0.28 -4.90 117.00 111.81 1wgp n LEU 29 Ca -0.02 1.17 -0.27 0.00 -0.03 0.00 0.00 56.01 56.87 1wgp n LEU 29 Cb 0.51 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1wgp n LEU 29 CO 0.45 -1.52 -0.23 -0.54 -1.33 0.00 0.00 177.39 174.22 1wgp s LYS 30 N 1.10 2.87 -0.48 3.23 1.02 -1.14 -4.91 119.74 121.42 1wgp s LYS 30 Ca 0.96 -0.86 -0.28 0.00 0.02 0.00 0.00 55.97 55.81 1wgp s LYS 30 Cb -1.35 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.33 1wgp s LYS 30 CO 0.66 0.49 1.45 -1.25 -0.92 0.00 0.00 175.35 175.78 1wgp s PRO 31 N -3.00 3.41 0.09 -1.68 0.04 -1.26 -3.03 135.00 129.57 1wgp s PRO 31 Ca 0.30 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 1wgp s PRO 31 Cb -0.10 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.37 1wgp s PRO 31 CO 0.23 -1.78 0.31 0.00 0.04 0.00 0.00 177.00 175.80 1wgp s LEU 33 N -2.58 1.90 -0.34 0.00 0.20 -1.26 -4.33 118.68 112.26 1wgp s LEU 33 Ca 0.01 -0.44 -0.11 0.00 0.69 0.00 0.00 54.13 54.28 1wgp s LEU 33 Cb 0.02 0.45 -0.00 0.00 -0.43 0.00 0.00 46.19 46.22 1wgp s LEU 33 CO -0.09 -0.40 0.20 -0.36 -0.29 0.00 0.00 176.35 175.41 1wgp s PHE 34 N -1.91 3.21 0.00 5.38 0.08 -1.26 -5.07 117.98 118.42 1wgp s PHE 34 Ca -0.11 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1wgp s PHE 34 Cb -0.06 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 1wgp s PHE 34 CO -0.02 -0.47 0.00 0.25 -0.10 0.00 0.00 175.22 174.88 1wgp n THR 35 N 5.04 0.00 -2.37 0.64 -2.24 -1.26 -3.46 114.28 110.63 1wgp n THR 35 Ca -0.13 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 1wgp n THR 35 Cb 0.49 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.05 4.15 -1.15 -0.78 -1.05 -1.26 -3.16 118.70 113.40 1wgp s GLU 36 Ca 0.00 1.76 -0.08 0.00 -0.15 0.00 0.00 54.97 56.51 1wgp s GLU 36 Cb 0.00 -2.71 0.01 0.00 -0.44 0.00 0.00 34.13 30.99 1wgp s GLU 36 CO 0.00 -0.22 1.01 1.63 0.95 0.00 0.00 175.26 178.63 1wgp n LYS 37 N 0.18 -6.77 -4.19 -4.83 5.02 -1.19 -4.99 118.16 101.39 1wgp n LYS 37 Ca 0.04 0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 56.69 1wgp n LYS 37 Cb 0.47 -5.37 -0.14 0.00 -0.02 0.00 0.00 35.03 29.97 1wgp n LYS 37 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wgp s SER 38 N -3.28 4.24 -0.36 4.39 1.04 -1.19 -4.99 113.70 113.55 1wgp s SER 38 Ca 0.50 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 56.42 1wgp s SER 38 Cb -0.22 -1.70 -0.00 0.00 0.10 0.00 0.00 66.02 64.20 1wgp s SER 38 CO 0.62 0.05 0.38 -0.31 0.98 0.00 0.00 173.24 174.95 1wgp s TYR 39 N 1.05 3.20 -0.04 5.02 1.51 -1.26 -2.52 117.35 124.31 1wgp s TYR 39 Ca 0.00 -0.14 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 1wgp s TYR 39 Cb -0.15 -2.72 -0.09 0.00 -0.11 0.00 0.00 41.96 38.89 1wgp s TYR 39 CO -0.01 -0.50 0.64 -0.07 -1.11 0.00 0.00 175.55 174.50 1wgp h LEU 40 N 8.81 -0.38 -8.63 -1.29 4.07 -1.91 -3.47 115.31 112.51 1wgp h LEU 40 Ca -0.29 -0.06 -0.35 0.00 0.08 0.00 0.00 57.88 57.26 1wgp h LEU 40 Cb 1.13 0.10 -0.16 0.00 1.08 0.00 0.00 40.66 42.82 1wgp h LEU 40 CO 0.72 0.08 -0.72 0.68 -1.08 0.00 0.00 178.44 178.12 1wgp s VAL 41 N -3.24 1.21 0.07 1.22 -7.23 -1.26 -4.96 120.40 106.20 1wgp s VAL 41 Ca -0.08 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1wgp s VAL 41 Cb 0.01 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1wgp s VAL 41 CO 0.27 -0.66 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.69 1wgp s ARG 42 N -3.45 0.75 -0.52 4.82 3.00 -1.26 -2.95 118.95 119.33 1wgp s ARG 42 Ca 0.14 -0.96 -0.20 0.00 -1.00 0.00 0.00 55.73 53.71 1wgp s ARG 42 Cb 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 34.95 34.40 1wgp s ARG 42 CO 0.01 0.12 0.71 -2.00 0.00 0.00 0.00 175.30 174.14 1wgp s GLU 43 N -1.98 3.18 0.00 5.12 2.12 -1.26 -3.59 118.70 122.29 1wgp s GLU 43 Ca -0.02 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1wgp s GLU 43 Cb -0.08 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1wgp s GLU 43 CO 0.01 -1.29 0.00 0.41 -0.54 0.00 0.00 175.26 173.85 1wgp n GLY 44 N 5.16 0.81 3.91 -1.50 0.00 -1.26 -5.04 105.19 107.27 1wgp n GLY 44 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1wgp n GLY 44 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wgp s ASP 45 N -1.15 6.34 0.87 1.61 -4.77 -1.25 -4.98 116.67 113.35 1wgp s ASP 45 Ca 0.00 0.74 -0.12 0.00 -3.30 0.00 0.00 52.55 49.87 1wgp s ASP 45 Cb 0.00 -2.16 0.11 0.00 -1.09 0.00 0.00 42.92 39.78 1wgp s ASP 45 CO 0.00 -0.38 1.12 -2.16 0.70 0.00 0.00 175.17 174.45 1wgp s PRO 46 N -4.24 1.48 -0.26 2.11 0.04 -1.26 -3.63 135.00 129.24 1wgp s PRO 46 Ca 0.45 0.42 -0.03 0.00 0.04 0.00 0.00 61.00 61.88 1wgp s PRO 46 Cb -0.10 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1wgp s PRO 46 CO 0.37 -1.99 -0.03 0.08 0.04 0.00 0.00 177.00 175.48 1wgp s VAL 47 N -3.23 3.17 -0.08 -0.36 1.01 0.13 -4.86 120.40 116.17 1wgp s VAL 47 Ca 0.63 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1wgp s VAL 47 Cb -0.15 -2.60 -0.29 0.00 0.00 0.00 0.00 36.38 33.35 1wgp s VAL 47 CO 0.54 0.19 0.62 -1.13 0.00 0.00 0.00 175.10 175.32 1wgp h ASN 48 N 8.07 0.47 -5.04 3.32 -0.73 -1.96 -3.39 115.58 116.32 1wgp h ASN 48 Ca -0.33 -0.89 -0.14 0.00 1.87 0.00 0.00 56.30 56.81 1wgp h ASN 48 Cb 1.12 -0.15 -0.19 0.00 0.27 0.00 0.00 38.32 39.36 1wgp h ASN 48 CO 0.58 1.66 -0.55 -1.83 -0.37 0.00 0.00 177.43 176.92 1wgp s GLU 49 N -2.51 0.51 -0.00 6.67 1.03 -1.26 -3.15 118.70 119.99 1wgp s GLU 49 Ca -0.18 -0.64 -0.10 0.00 0.03 0.00 0.00 54.97 54.08 1wgp s GLU 49 Cb 0.04 0.20 -0.05 0.00 -0.80 0.00 0.00 34.13 33.52 1wgp s GLU 49 CO 0.80 -0.12 0.32 1.41 -1.33 0.00 0.00 175.26 176.34 1wgp s MET 50 N -2.08 3.70 -0.19 -4.83 1.75 0.53 -4.85 119.30 113.32 1wgp s MET 50 Ca -0.10 0.12 -0.04 0.00 -1.25 0.00 0.00 55.69 54.42 1wgp s MET 50 Cb -0.04 -3.12 -0.02 0.00 2.84 0.00 0.00 34.83 34.48 1wgp s MET 50 CO -0.02 0.66 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.48 1wgp s LEU 51 N -1.46 3.13 -0.48 4.11 2.01 -1.26 -0.31 118.68 124.43 1wgp s LEU 51 Ca 0.25 -0.25 -0.11 0.00 0.01 0.00 0.00 54.13 54.03 1wgp s LEU 51 Cb -0.14 -1.78 0.11 0.00 0.01 0.00 0.00 46.19 44.39 1wgp s LEU 51 CO 0.14 0.07 0.37 -0.36 1.01 0.00 0.00 176.35 177.57 1wgp s PHE 52 N 0.97 3.35 0.03 0.29 0.40 -1.09 -3.43 117.98 118.50 1wgp s PHE 52 Ca 0.01 -1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 54.46 1wgp s PHE 52 Cb -0.14 -3.43 -0.09 0.00 0.51 0.00 0.00 43.02 39.87 1wgp s PHE 52 CO 0.01 -0.95 1.95 0.42 0.70 0.00 0.00 175.22 177.35 1wgp s ILE 53 N 1.46 3.06 -0.25 0.64 -1.09 -1.26 -3.51 121.20 120.25 1wgp s ILE 53 Ca 0.04 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.40 1wgp s ILE 53 Cb -0.26 -3.05 -0.15 0.00 -1.58 0.00 0.00 42.46 37.42 1wgp s ILE 53 CO 0.01 -0.01 -0.17 -0.38 -1.23 0.00 0.00 174.94 173.17 1wgp n ILE 54 N 5.56 1.54 -3.61 2.92 2.08 -1.15 -4.33 119.36 122.37 1wgp n ILE 54 Ca 0.20 -0.33 -0.10 0.00 0.56 0.00 0.00 62.75 63.08 1wgp n ILE 54 Cb 0.41 -1.87 -0.06 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 -2.48 0.57 0.00 0.38 0.52 -0.98 -4.72 118.95 112.24 1wgp s ARG 55 Ca -0.35 0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 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 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.14 1wgp n GLY 56 N 1.47 0.59 3.16 -3.53 0.00 -1.26 -2.36 105.19 103.25 1wgp n GLY 56 Ca -0.12 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1wgp n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgp s ARG 57 N -1.52 0.72 0.28 1.61 6.06 -1.26 -4.56 118.95 120.28 1wgp s ARG 57 Ca 0.00 -0.91 -0.18 0.00 -2.50 0.00 0.00 55.73 52.14 1wgp s ARG 57 Cb 0.00 0.29 0.02 0.00 0.06 0.00 0.00 34.95 35.31 1wgp s ARG 57 CO 0.00 -0.20 0.66 -0.51 -2.50 0.00 0.00 175.30 172.74 1wgp s LEU 58 N -2.59 -0.06 -0.17 -0.88 1.02 -1.26 -4.59 118.68 110.15 1wgp s LEU 58 Ca 0.02 -0.75 0.01 0.00 0.02 0.00 0.00 54.13 53.42 1wgp s LEU 58 Cb 0.03 2.46 0.03 0.00 0.02 0.00 0.00 46.19 48.73 1wgp s LEU 58 CO -0.08 -1.32 -0.14 -1.83 0.02 0.00 0.00 176.35 173.00 1wgp s GLU 59 N -3.82 2.35 -0.12 1.70 -1.05 -0.36 -3.79 118.70 113.61 1wgp s GLU 59 Ca 0.15 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.22 1wgp s GLU 59 Cb -0.04 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 1wgp s GLU 59 CO 0.08 -0.28 0.12 -1.54 0.95 0.00 0.00 175.26 174.59 1wgp s SER 60 N 1.43 6.25 0.02 0.83 1.04 -0.27 -0.66 113.70 122.34 1wgp s SER 60 Ca 0.03 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 1wgp s SER 60 Cb -0.14 -2.01 -0.00 0.00 0.10 0.00 0.00 66.02 63.97 1wgp s SER 60 CO -0.10 0.39 0.12 -0.69 0.98 0.00 0.00 173.24 173.93 1wgp s VAL 61 N -0.91 0.10 0.03 5.02 1.01 0.69 -0.59 120.40 125.75 1wgp s VAL 61 Ca 0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1wgp s VAL 61 Cb -0.12 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1wgp s VAL 61 CO 0.03 -0.46 -0.03 0.28 0.00 0.00 0.00 175.10 174.93 1wgp s THR 62 N -1.81 0.15 -0.35 3.92 -1.32 -1.19 -1.01 115.64 114.02 1wgp s THR 62 Ca -0.12 -1.27 0.04 0.00 -1.21 0.00 0.00 61.69 59.14 1wgp s THR 62 Cb -0.06 -0.77 0.25 0.00 -1.51 0.00 0.00 72.50 70.41 1wgp s THR 62 CO -0.01 -0.70 1.25 1.07 -2.21 0.00 0.00 174.62 174.02 1wgp n THR 63 N 0.99 0.00 -2.69 5.08 5.66 -1.26 -3.35 114.28 118.72 1wgp n THR 63 Ca -0.20 -0.86 -0.43 0.00 -3.05 0.00 0.00 64.05 59.51 1wgp n THR 63 Cb 0.57 0.97 -0.03 0.00 -1.55 0.00 0.00 70.33 70.29 1wgp n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1wgp s ASP 64 N -0.45 6.68 -0.08 1.09 -4.77 -1.26 -4.54 116.67 113.34 1wgp s ASP 64 Ca 0.15 0.55 -0.06 0.00 -3.30 0.00 0.00 52.55 49.90 1wgp s ASP 64 Cb 0.23 -2.51 0.02 0.00 -1.09 0.00 0.00 42.92 39.57 1wgp s ASP 64 CO -0.11 -1.06 0.12 0.61 0.70 0.00 0.00 175.17 175.43 1wgp n GLY 65 N 4.56 -4.44 0.00 2.12 0.00 -1.26 -5.07 105.19 101.10 1wgp n GLY 65 Ca 0.10 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 1.89 5.63 0.22 -0.02 0.00 -1.26 -5.08 105.19 106.58 1wgp n GLY 66 Ca -0.20 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1wgp n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wgp n ARG 67 N 0.00 0.00 -0.08 1.61 0.63 -1.26 -5.00 116.66 112.56 1wgp n ARG 67 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1wgp n ARG 67 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1wgp n ARG 67 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1wgp n SER 68 N -2.50 1.82 0.00 6.15 7.64 -1.26 -5.06 113.62 120.41 1wgp n SER 68 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1wgp n SER 68 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 1.57 0.67 2.61 0.23 0.00 -1.26 -5.15 105.19 103.86 1wgp n GLY 69 Ca -0.14 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1wgp n GLY 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wgp s PHE 70 N 0.00 0.11 -0.32 1.61 2.19 -1.26 -5.11 117.98 115.20 1wgp s PHE 70 Ca 0.00 -0.59 -0.14 0.00 0.33 0.00 0.00 56.93 56.53 1wgp s PHE 70 Cb 0.00 -0.75 -0.02 0.00 -1.31 0.00 0.00 43.02 40.94 1wgp s PHE 70 CO 0.00 -0.79 0.31 0.71 1.83 0.00 0.00 175.22 177.28 1wgp s TYR 71 N 2.17 3.22 -0.84 10.12 1.51 -1.26 -4.89 117.35 127.38 1wgp s TYR 71 Ca 0.08 0.02 -0.24 0.00 -1.01 0.00 0.00 57.07 55.92 1wgp s TYR 71 Cb -0.16 -2.57 0.05 0.00 -0.11 0.00 0.00 41.96 39.18 1wgp s TYR 71 CO -0.31 -0.34 1.28 -0.80 -1.11 0.00 0.00 175.55 174.27 1wgp s ASN 72 N 1.72 6.32 0.18 2.29 0.01 -1.21 -4.95 114.94 119.30 1wgp s ASN 72 Ca 0.10 -1.00 -0.21 0.00 -0.71 0.00 0.00 52.86 51.04 1wgp s ASN 72 Cb -0.17 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 1wgp s ASN 72 CO 0.11 -1.61 0.71 -0.60 -1.51 0.00 0.00 177.10 174.21 1wgp s ARG 73 N 4.99 4.33 0.26 -0.60 3.52 -1.26 -3.20 118.95 126.99 1wgp s ARG 73 Ca 0.37 0.93 -0.08 0.00 -0.13 0.00 0.00 55.73 56.82 1wgp s ARG 73 Cb -0.06 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1wgp s ARG 73 CO 0.04 0.49 0.41 -1.12 -0.81 0.00 0.00 175.30 174.30 1wgp s SER 74 N -1.42 0.19 0.15 -2.12 0.01 0.24 -5.01 113.70 105.74 1wgp s SER 74 Ca 0.38 -1.15 0.07 0.00 1.31 0.00 0.00 55.95 56.56 1wgp s SER 74 Cb -0.19 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1wgp s SER 74 CO 0.22 -1.12 -0.16 -0.22 0.41 0.00 0.00 173.24 172.37 1wgp s LEU 75 N -3.10 2.44 0.21 2.44 2.96 -1.26 -1.11 118.68 121.25 1wgp s LEU 75 Ca 0.28 -0.86 0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1wgp s LEU 75 Cb 0.01 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 1wgp s LEU 75 CO 0.12 -0.11 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.12 1wgp s LEU 76 N -2.66 2.53 0.35 -0.68 1.43 -1.25 -4.90 118.68 113.50 1wgp s LEU 76 Ca 0.13 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.32 1wgp s LEU 76 Cb -0.04 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1wgp s LEU 76 CO 0.05 -0.10 0.23 -1.59 0.23 0.00 0.00 176.35 175.17 1wgp s LYS 77 N -3.39 1.80 0.07 1.70 -2.85 -1.26 -4.21 119.74 111.61 1wgp s LYS 77 Ca 0.22 -2.06 -0.35 0.00 -1.00 0.00 0.00 55.97 52.78 1wgp s LYS 77 Cb -0.03 0.05 -0.14 0.00 -2.06 0.00 0.00 37.83 35.65 1wgp s LYS 77 CO 0.08 -0.60 1.58 -0.85 0.10 0.00 0.00 175.35 175.67 1wgp n GLU 78 N -0.71 1.86 0.00 1.78 0.28 -1.26 -1.67 120.64 120.92 1wgp n GLU 78 Ca 0.03 0.67 0.00 0.00 -0.16 0.00 0.00 57.16 57.71 1wgp n GLU 78 Cb 0.63 -2.42 0.00 0.00 1.43 0.00 0.00 31.44 31.08 1wgp n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wgp n GLY 79 N 3.42 1.48 3.77 -1.84 0.00 -1.26 -5.08 105.19 105.68 1wgp n GLY 79 Ca 0.19 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1wgp n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wgp s ASP 80 N -0.45 7.06 0.30 1.61 -1.08 -0.67 -4.95 116.67 118.50 1wgp s ASP 80 Ca 0.00 2.07 0.11 0.00 -0.52 0.00 0.00 52.55 54.21 1wgp s ASP 80 Cb 0.00 -2.60 -0.05 0.00 -1.46 0.00 0.00 42.92 38.81 1wgp s ASP 80 CO 0.00 -0.27 -0.15 0.72 0.52 0.00 0.00 175.17 175.99 1wgp s PHE 81 N -1.47 2.36 0.31 -5.34 -0.12 -1.26 -4.17 117.98 108.29 1wgp s PHE 81 Ca 0.51 -0.38 0.10 0.00 -0.05 0.00 0.00 56.93 57.12 1wgp s PHE 81 Cb -0.25 -1.14 -0.06 0.00 -0.63 0.00 0.00 43.02 40.94 1wgp s PHE 81 CO 0.31 0.66 -0.14 0.00 -0.05 0.00 0.00 175.22 176.00 1wgp n GLY 83 N -0.69 -0.19 0.30 0.00 0.00 -1.26 -4.28 105.19 99.07 1wgp n GLY 83 Ca -0.05 0.12 -0.01 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 -1.18 0.69 -0.99 1.61 2.03 -1.94 -2.50 116.42 114.13 1wgp h ASP 84 Ca -0.55 -0.10 0.37 0.00 -0.73 0.00 0.00 57.03 56.02 1wgp h ASP 84 Cb 1.21 -0.18 -0.18 0.00 -0.83 0.00 0.00 39.33 39.36 1wgp h ASP 84 CO 0.67 0.66 0.44 -0.33 -1.03 0.00 0.00 179.24 179.65 1wgp h GLU 85 N 0.73 0.05 -0.58 4.15 4.39 -1.93 1.43 114.58 122.82 1wgp h GLU 85 Ca 0.17 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.97 1wgp h GLU 85 Cb 0.23 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.78 1wgp h GLU 85 CO -0.01 0.03 0.11 1.25 -1.16 0.00 0.00 179.01 179.24 1wgp h LEU 86 N 0.05 -0.02 -0.03 1.33 5.85 -1.81 1.50 115.31 122.18 1wgp h LEU 86 Ca 0.78 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.64 1wgp h LEU 86 Cb 1.94 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 43.07 1wgp h LEU 86 CO -0.77 0.00 -0.39 0.25 -0.34 0.00 0.00 178.44 177.19 1wgp h LEU 87 N 0.24 -1.20 -0.54 2.25 5.85 0.18 -0.86 115.31 121.23 1wgp h LEU 87 Ca 0.30 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 1wgp h LEU 87 Cb 0.44 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1wgp h LEU 87 CO -0.39 -0.43 0.20 0.74 -0.34 0.00 0.00 178.44 178.22 1wgp h THR 88 N -0.53 1.22 -0.46 1.05 2.02 -1.06 -2.31 112.91 112.85 1wgp h THR 88 Ca 0.06 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1wgp h THR 88 Cb 0.62 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1wgp h THR 88 CO -0.32 0.27 -0.35 -0.25 0.37 0.00 0.00 175.52 175.24 1wgp h TRP 89 N 0.73 -1.10 -0.44 3.16 7.01 0.29 1.58 115.95 127.18 1wgp h TRP 89 Ca 0.18 0.07 0.09 0.00 2.11 0.00 0.00 58.89 61.33 1wgp h TRP 89 Cb 0.22 0.54 -0.08 0.00 -2.10 0.00 0.00 29.16 27.74 1wgp h TRP 89 CO 0.01 -0.25 -0.12 0.00 -2.79 0.00 0.00 178.44 175.29 1wgp h ALA 90 N -0.28 0.27 -0.94 2.65 0.00 -1.10 0.36 119.26 120.22 1wgp h ALA 90 Ca 0.07 0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.33 1wgp h ALA 90 Cb 0.29 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1wgp h ALA 90 CO -0.48 -0.46 0.60 -0.07 0.00 0.00 0.00 179.25 178.84 1wgp h LEU 91 N -0.01 0.64 -7.45 0.00 4.07 0.10 -3.18 115.31 109.47 1wgp h LEU 91 Ca 0.21 0.06 -0.67 0.00 0.08 0.00 0.00 57.88 57.56 1wgp h LEU 91 Cb 0.33 -0.06 -0.38 0.00 1.08 0.00 0.00 40.66 41.63 1wgp h LEU 91 CO -0.46 0.27 -0.48 -0.62 -1.08 0.00 0.00 178.44 176.08 1wgp s ASP 92 N -5.61 4.83 0.39 -0.43 2.15 0.50 -4.90 116.67 113.60 1wgp s ASP 92 Ca -0.10 -3.00 0.21 0.00 0.43 0.00 0.00 52.55 50.09 1wgp s ASP 92 Cb 0.23 -1.75 0.58 0.00 -0.30 0.00 0.00 42.92 41.68 1wgp s ASP 92 CO 0.79 -0.29 1.68 1.55 -0.17 0.00 0.00 175.17 178.73 1wgp h PRO 93 N 6.69 0.00 -0.73 4.34 0.13 -1.50 -3.06 132.00 137.87 1wgp h PRO 93 Ca -0.03 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.24 1wgp h PRO 93 Cb 0.91 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 1wgp h PRO 93 CO 0.71 0.30 0.49 0.87 -0.23 0.00 0.00 178.00 180.14 1wgp h LYS 94 N 0.00 0.41 -0.78 0.86 1.79 -1.90 -1.85 116.57 115.09 1wgp h LYS 94 Ca -0.00 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1wgp h LYS 94 Cb 0.98 -0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.41 1wgp h LYS 94 CO 0.04 0.27 -0.43 1.03 -1.08 0.00 0.00 179.45 179.28 1wgp h SER 95 N 0.42 -1.52 -1.29 0.86 0.87 -1.86 -3.47 113.55 107.56 1wgp h SER 95 Ca 0.35 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1wgp h SER 95 Cb 0.78 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1wgp h SER 95 CO -0.11 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 176.50 1wgp n GLY 96 N -1.41 -1.53 0.11 5.77 0.00 -0.70 -4.99 105.19 102.45 1wgp n GLY 96 Ca 0.05 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 1wgp n GLY 96 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wgp h SER 97 N 0.00 0.25 -1.16 1.61 0.87 -1.91 -3.46 113.55 109.74 1wgp h SER 97 Ca 0.00 -0.80 -0.79 0.00 -1.23 0.00 0.00 61.79 58.97 1wgp h SER 97 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1wgp h SER 97 CO 0.00 1.51 0.91 0.59 -0.53 0.00 0.00 176.83 179.31 1wgp n ASN 98 N -4.12 1.79 -4.31 6.23 3.02 -1.26 -4.82 115.26 111.78 1wgp n ASN 98 Ca -0.25 1.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.98 1wgp n ASN 98 Cb 0.80 -1.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.01 1wgp n ASN 98 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wgp n LEU 99 N 5.45 -1.65 -4.79 3.41 4.77 -1.26 -4.94 117.00 117.98 1wgp n LEU 99 Ca 0.32 0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 56.43 1wgp n LEU 99 Cb 0.05 -1.06 0.13 0.00 -2.33 0.00 0.00 43.42 40.20 1wgp n LEU 99 CO 0.85 -4.17 0.71 -2.16 -1.33 0.00 0.00 177.39 171.29 1wgp s PRO 100 N -2.66 1.34 -0.11 3.23 0.04 -1.26 -4.62 135.00 130.95 1wgp s PRO 100 Ca 0.56 0.36 0.03 0.00 0.04 0.00 0.00 61.00 61.99 1wgp s PRO 100 Cb -0.28 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wgp s PRO 100 CO 0.68 -2.08 -0.22 -1.12 0.04 0.00 0.00 177.00 174.30 1wgp s SER 101 N -4.00 2.96 1.00 6.66 0.01 -1.26 0.17 113.70 119.23 1wgp s SER 101 Ca 0.63 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.23 1wgp s SER 101 Cb -0.15 -1.36 0.18 0.00 0.21 0.00 0.00 66.02 64.91 1wgp s SER 101 CO 0.53 0.12 1.06 -0.24 0.41 0.00 0.00 173.24 175.12 1wgp n SER 102 N 3.76 -0.39 -0.39 2.44 2.88 -1.24 -4.92 113.62 115.77 1wgp n SER 102 Ca -0.20 0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.64 1wgp n SER 102 Cb 0.52 -1.40 0.04 0.00 -0.75 0.00 0.00 64.21 62.62 1wgp n SER 102 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wgp n THR 103 N -4.44 0.00 -3.57 2.46 -2.24 -1.26 -4.16 114.28 101.07 1wgp n THR 103 Ca 0.09 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.23 1wgp n THR 103 Cb 0.53 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 1wgp n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wgp s ARG 104 N -0.84 0.84 0.08 -0.78 1.04 -1.26 -4.95 118.95 113.07 1wgp s ARG 104 Ca 0.11 0.40 -0.04 0.00 -1.04 0.00 0.00 55.73 55.16 1wgp s ARG 104 Cb 0.08 0.40 -0.05 0.00 -2.04 0.00 0.00 34.95 33.34 1wgp s ARG 104 CO 0.13 -0.22 0.29 0.99 -0.04 0.00 0.00 175.30 176.45 1wgp s THR 105 N -0.73 5.28 0.01 4.99 2.01 -0.18 -4.35 115.64 122.67 1wgp s THR 105 Ca -0.05 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1wgp s THR 105 Cb -0.02 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1wgp s THR 105 CO 0.04 0.17 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.40 1wgp s VAL 106 N -1.50 0.36 0.13 3.82 1.01 -1.15 -0.22 120.40 122.84 1wgp s VAL 106 Ca 0.35 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1wgp s VAL 106 Cb -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1wgp s VAL 106 CO 0.23 -0.12 -0.12 -0.75 0.00 0.00 0.00 175.10 174.34 1wgp s LYS 107 N -0.70 1.00 -0.29 2.72 2.20 0.17 -2.81 119.74 122.03 1wgp s LYS 107 Ca -0.04 -1.29 -0.10 0.00 -0.36 0.00 0.00 55.97 54.19 1wgp s LYS 107 Cb -0.05 -0.74 -0.02 0.00 -1.51 0.00 0.00 37.83 35.51 1wgp s LYS 107 CO -0.00 0.12 0.15 0.00 -0.36 0.00 0.00 175.35 175.26 1wgp s ALA 108 N -2.57 3.31 -0.10 3.13 0.00 -1.05 -1.22 121.76 123.26 1wgp s ALA 108 Ca 0.11 -1.28 0.20 0.00 0.00 0.00 0.00 51.96 50.99 1wgp s ALA 108 Cb -0.02 -2.35 -0.29 0.00 0.00 0.00 0.00 23.12 20.46 1wgp s ALA 108 CO 0.02 -0.75 0.35 1.28 0.00 0.00 0.00 175.76 176.65 1wgp n LEU 109 N 4.99 0.06 -4.25 0.00 4.32 -1.26 -3.15 117.00 117.72 1wgp n LEU 109 Ca -0.14 0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.74 1wgp n LEU 109 Cb 0.50 0.20 -0.10 0.00 -1.62 0.00 0.00 43.42 42.40 1wgp n LEU 109 CO 0.33 0.20 -0.29 0.28 -1.22 0.00 0.00 177.39 176.69 1wgp s THR 110 N -3.09 0.47 -0.15 -5.08 -1.32 -1.26 -4.95 115.64 100.25 1wgp s THR 110 Ca -0.08 -1.98 -0.37 0.00 -1.21 0.00 0.00 61.69 58.05 1wgp s THR 110 Cb 0.11 -2.32 -0.14 0.00 -1.51 0.00 0.00 72.50 68.64 1wgp s THR 110 CO 0.87 -0.26 1.80 1.21 -2.21 0.00 0.00 174.62 176.03 1wgp n GLU 111 N -0.30 1.73 -4.21 7.08 2.13 -1.26 -4.83 120.64 120.98 1wgp n GLU 111 Ca -0.03 0.63 -0.29 0.00 0.66 0.00 0.00 57.16 58.13 1wgp n GLU 111 Cb 0.65 -2.41 -0.09 0.00 0.27 0.00 0.00 31.44 29.86 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 3.66 3.49 -0.23 6.31 1.01 -1.22 -4.58 120.40 128.83 1wgp s VAL 112 Ca 0.94 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1wgp s VAL 112 Cb -0.85 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1wgp s VAL 112 CO 0.57 0.06 0.01 -1.61 0.00 0.00 0.00 175.10 174.13 1wgp s GLU 113 N -2.38 1.10 0.32 2.72 2.02 -0.99 -4.03 118.70 117.44 1wgp s GLU 113 Ca 0.23 -0.81 -0.19 0.00 0.02 0.00 0.00 54.97 54.23 1wgp s GLU 113 Cb -0.11 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.84 1wgp s GLU 113 CO 0.15 -0.69 0.78 0.00 0.02 0.00 0.00 175.26 175.53 1wgp s ALA 114 N 1.60 -1.03 0.47 5.21 0.00 -1.26 -2.32 121.76 124.42 1wgp s ALA 114 Ca -0.01 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.51 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 -0.10 -1.02 0.23 -0.06 0.00 0.00 0.00 175.76 174.81 1wgp s PHE 115 N -3.02 2.20 0.34 0.00 0.40 -1.23 -4.29 117.98 112.38 1wgp s PHE 115 Ca 0.14 -0.72 0.08 0.00 -0.60 0.00 0.00 56.93 55.83 1wgp s PHE 115 Cb -0.05 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 1wgp s PHE 115 CO 0.09 -0.02 0.13 0.00 0.70 0.00 0.00 175.22 176.12 1wgp s ALA 116 N -2.69 3.47 -0.19 5.36 0.00 -1.17 -2.68 121.76 123.86 1wgp s ALA 116 Ca 0.33 -1.84 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 1wgp s ALA 116 Cb 0.01 -0.70 0.09 0.00 0.00 0.00 0.00 23.12 22.52 1wgp s ALA 116 CO 0.19 0.04 0.39 -1.17 0.00 0.00 0.00 175.76 175.22 1wgp s LEU 117 N -3.83 -0.59 0.24 0.00 1.98 0.58 -2.90 118.68 114.15 1wgp s LEU 117 Ca 0.37 0.92 -0.22 0.00 -2.89 0.00 0.00 54.13 52.32 1wgp s LEU 117 Cb -0.02 1.25 -0.09 0.00 0.66 0.00 0.00 46.19 47.99 1wgp s LEU 117 CO 0.22 -0.23 0.77 -0.51 -1.89 0.00 0.00 176.35 174.71 1wgp s ILE 118 N 2.58 4.47 0.03 6.68 2.07 -1.26 0.20 121.20 135.98 1wgp s ILE 118 Ca -0.01 1.44 -0.25 0.00 -1.41 0.00 0.00 60.65 60.42 1wgp s ILE 118 Cb -0.12 -3.92 -0.18 0.00 0.13 0.00 0.00 42.46 38.37 1wgp s ILE 118 CO -0.12 0.23 1.48 0.00 -1.91 0.00 0.00 174.94 174.62 1wgp h ALA 119 N 3.47 -0.04 -0.22 1.50 0.00 -1.90 -2.03 119.26 120.02 1wgp h ALA 119 Ca -0.48 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.33 1wgp h ALA 119 Cb 1.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1wgp h ALA 119 CO 0.65 -0.40 -0.15 -0.44 0.00 0.00 0.00 179.25 178.92 1wgp h ASP 120 N -0.29 -0.53 -0.90 0.00 5.19 -1.94 1.57 116.42 119.51 1wgp h ASP 120 Ca -0.00 0.08 0.20 0.00 -0.62 0.00 0.00 57.03 56.69 1wgp h ASP 120 Cb 0.27 0.23 -0.12 0.00 0.18 0.00 0.00 39.33 39.90 1wgp h ASP 120 CO 0.01 -0.06 0.44 -0.33 -3.12 0.00 0.00 179.24 176.17 1wgp h GLU 121 N -0.02 0.48 0.65 3.56 4.39 -1.98 0.41 114.58 122.07 1wgp h GLU 121 Ca 0.04 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1wgp h GLU 121 Cb 0.11 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1wgp h GLU 121 CO -0.22 0.32 -0.31 1.25 -1.16 0.00 0.00 179.01 178.89 1wgp h LEU 122 N 0.49 -0.74 -0.63 1.33 6.46 0.75 -0.22 115.31 122.76 1wgp h LEU 122 Ca 0.55 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 58.46 1wgp h LEU 122 Cb 0.98 0.19 -0.12 0.00 -0.73 0.00 0.00 40.66 40.98 1wgp h LEU 122 CO -0.47 -0.52 -0.17 0.50 -0.62 0.00 0.00 178.44 177.15 1wgp h LYS 123 N -0.87 -0.02 -0.08 1.25 3.64 0.28 1.59 116.57 122.37 1wgp h LYS 123 Ca -0.09 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1wgp h LYS 123 Cb 0.67 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1wgp h LYS 123 CO 0.15 -0.01 -0.41 0.35 -2.27 0.00 0.00 179.45 177.25 1wgp h PHE 124 N -0.02 -1.23 0.00 1.91 3.04 -0.07 1.45 116.94 122.02 1wgp h PHE 124 Ca 0.30 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.27 1wgp h PHE 124 Cb 0.47 0.55 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 1wgp h PHE 124 CO -0.53 -0.42 -0.12 -0.24 -2.02 0.00 0.00 178.31 174.98 1wgp h VAL 125 N -0.46 0.96 -0.09 1.41 3.04 -0.02 1.05 116.25 122.13 1wgp h VAL 125 Ca 0.02 -0.44 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1wgp h VAL 125 Cb 0.53 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1wgp h VAL 125 CO -0.32 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 176.36 1wgp h ALA 126 N 1.88 0.13 -0.01 3.17 0.00 0.46 -2.83 119.26 122.05 1wgp h ALA 126 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1wgp h ALA 126 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wgp h ALA 126 CO 0.02 -0.19 -0.10 1.03 0.00 0.00 0.00 179.25 180.01 1wgp h SER 127 N -0.11 0.10 -0.91 0.00 0.87 0.25 -2.66 113.55 111.09 1wgp h SER 127 Ca 0.03 -0.74 0.32 0.00 -1.23 0.00 0.00 61.79 60.17 1wgp h SER 127 Cb 0.35 -0.03 -0.17 0.00 -0.44 0.00 0.00 62.40 62.11 1wgp h SER 127 CO 0.00 0.82 0.28 0.00 -0.53 0.00 0.00 176.83 177.41 1wgp n GLN 128 N -4.64 -0.06 0.02 2.24 1.13 0.36 -0.13 117.38 116.29 1wgp n GLN 128 Ca -0.09 1.31 -0.09 0.00 -1.94 0.00 0.00 57.00 56.18 1wgp n GLN 128 Cb 0.41 -2.22 -0.07 0.00 0.11 0.00 0.00 30.24 28.47 1wgp n GLN 128 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1wgp h PHE 129 N 0.00 -0.14 -6.31 1.08 3.57 -1.53 -3.49 116.94 110.12 1wgp h PHE 129 Ca 0.68 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.98 1wgp h PHE 129 Cb 1.65 0.05 0.01 0.00 2.79 0.00 0.00 35.95 40.44 1wgp h PHE 129 CO -0.21 0.32 -1.07 0.54 -2.23 0.00 0.00 178.31 175.65 1wgp n ARG 130 N -4.84 -1.42 -3.20 1.11 1.74 0.81 -4.99 116.66 105.87 1wgp n ARG 130 Ca -0.07 1.31 0.00 0.00 -0.77 0.00 0.00 57.85 58.32 1wgp n ARG 130 Cb 0.25 -2.10 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 1wgp n ARG 130 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wgp s ARG 131 N -1.86 0.52 0.31 5.56 3.52 -1.26 -5.10 118.95 120.64 1wgp s ARG 131 Ca 0.21 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1wgp s ARG 131 Cb -0.02 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1wgp s ARG 131 CO 0.53 -1.04 0.00 0.45 -0.81 0.00 0.00 175.30 174.43 1wgp n SER 132 N 5.40 -8.22 -4.43 -2.12 2.88 -1.26 -4.98 113.62 100.89 1wgp n SER 132 Ca 0.04 1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 58.40 1wgp n SER 132 Cb 0.53 -4.08 -0.13 0.00 -0.75 0.00 0.00 64.21 59.78 1wgp n SER 132 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgp s GLY 133 N -1.75 1.55 1.03 0.46 0.00 -1.26 -4.98 107.32 102.36 1wgp s GLY 133 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 44.72 43.32 1wgp s GLY 133 CO 0.00 -1.15 1.20 2.56 0.00 0.00 0.00 173.10 175.71 1wgp s PRO 134 N -1.50 0.15 0.04 2.90 0.04 -1.26 -5.08 135.00 130.29 1wgp s PRO 134 Ca 0.14 -0.09 0.08 0.00 0.04 0.00 0.00 61.00 61.17 1wgp s PRO 134 Cb -0.10 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1wgp s PRO 134 CO 0.05 -2.79 -0.22 -1.12 0.04 0.00 0.00 177.00 172.96 1wgp s SER 135 N -4.30 2.57 -0.10 6.66 0.01 -1.26 -5.06 113.70 112.23 1wgp s SER 135 Ca 0.70 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 57.30 1wgp s SER 135 Cb -0.09 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1wgp s SER 135 CO 0.54 0.17 -0.24 -1.20 0.41 0.00 0.00 173.24 172.92 1wgp n SER 136 N 1.84 1.66 0.00 2.44 7.64 -1.26 -5.26 113.62 120.68 1wgp n SER 136 Ca -0.17 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wgp n SER 136 Cb 0.53 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1wgp n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64