#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 6.70 0.20 1.61 0.15 -1.26 -4.98 113.70 116.12 1wgp s SER 2 Ca 0.00 2.35 -0.13 0.00 0.70 0.00 0.00 55.95 58.88 1wgp s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wgp s SER 2 CO 0.00 -0.81 0.42 -0.55 1.20 0.00 0.00 173.24 173.50 1wgp s SER 3 N 2.07 -0.09 0.00 5.45 0.15 -1.26 -5.15 113.70 114.87 1wgp s SER 3 Ca 0.70 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1wgp s SER 3 Cb -0.37 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wgp s SER 3 CO 0.30 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1wgp n GLY 4 N -0.31 0.99 0.07 9.45 0.00 -1.26 -4.88 105.19 109.25 1wgp n GLY 4 Ca -0.06 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 1wgp n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wgp h SER 5 N 0.00 -0.00 -4.48 1.61 0.87 -2.02 -3.47 113.55 106.05 1wgp h SER 5 Ca 0.00 -0.84 -0.29 0.00 -1.23 0.00 0.00 61.79 59.43 1wgp h SER 5 Cb 0.00 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 61.72 1wgp h SER 5 CO 0.00 0.92 -0.74 -0.55 -0.53 0.00 0.00 176.83 175.93 1wgp s SER 6 N -6.11 0.78 0.32 6.23 0.15 -1.26 -5.10 113.70 108.72 1wgp s SER 6 Ca -0.16 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1wgp s SER 6 Cb -0.02 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1wgp s SER 6 CO 0.58 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1wgp n GLY 7 N 1.95 0.48 5.00 9.45 0.00 -1.26 -4.64 105.19 116.17 1wgp n GLY 7 Ca -0.20 -0.78 0.00 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 -0.11 0.00 -0.99 1.61 0.31 -1.26 -4.38 118.33 113.51 1wgp n VAL 8 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1wgp n VAL 8 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1wgp n VAL 8 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1wgp n ARG 9 N 0.00 1.84 0.00 5.55 1.85 -1.26 -3.32 116.66 121.32 1wgp n ARG 9 Ca 0.00 -1.21 0.00 0.00 -1.00 0.00 0.00 57.85 55.64 1wgp n ARG 9 Cb 0.00 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.67 1wgp n ARG 9 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1wgp n ARG 10 N 1.47 0.00 -3.57 2.89 5.12 -1.26 -5.15 116.66 116.16 1wgp n ARG 10 Ca 0.32 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 56.00 1wgp n ARG 10 Cb 0.67 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.95 1wgp n ARG 10 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1wgp s VAL 11 N 0.00 5.15 -0.22 1.55 -7.23 -1.21 -4.99 120.40 113.45 1wgp s VAL 11 Ca 0.00 -0.55 0.28 0.00 -1.81 0.00 0.00 61.98 59.90 1wgp s VAL 11 Cb 0.00 -3.84 0.35 0.00 0.56 0.00 0.00 36.38 33.46 1wgp s VAL 11 CO 0.00 -0.44 1.79 1.55 -0.31 0.00 0.00 175.10 177.70 1wgp h PRO 12 N 1.08 0.00 0.51 4.82 0.13 -2.01 -3.29 132.00 133.24 1wgp h PRO 12 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1wgp h PRO 12 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1wgp h PRO 12 CO 0.62 0.00 -0.25 -0.07 -0.23 0.00 0.00 178.00 178.08 1wgp h LEU 13 N 0.00 -0.58 -4.76 1.56 3.38 -1.97 -3.23 115.31 109.70 1wgp h LEU 13 Ca 0.00 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.45 1wgp h LEU 13 Cb 0.73 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1wgp h LEU 13 CO 0.00 -0.33 2.64 0.49 0.09 0.00 0.00 178.44 181.33 1wgp n PHE 14 N -4.37 1.78 -0.09 1.13 3.72 -1.24 -4.37 117.46 114.02 1wgp n PHE 14 Ca -0.09 -2.65 -0.14 0.00 -0.05 0.00 0.00 57.45 54.52 1wgp n PHE 14 Cb 0.27 -2.22 -0.09 0.00 -0.94 0.00 0.00 39.48 36.51 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 4.43 0.00 -0.48 -1.08 4.39 -1.70 -3.38 114.58 116.76 1wgp h GLU 15 Ca 0.68 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.38 1wgp h GLU 15 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1wgp h GLU 15 CO 1.35 0.68 0.00 0.27 -1.16 0.00 0.00 179.01 180.16 1wgp n ASN 16 N -4.54 4.11 -4.77 1.42 6.94 -1.26 -5.00 115.26 112.15 1wgp n ASN 16 Ca -0.19 -2.48 -0.40 0.00 -0.02 0.00 0.00 54.58 51.48 1wgp n ASN 16 Cb 0.49 -0.48 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1wgp n ASN 16 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1wgp s MET 17 N -1.89 3.91 -0.04 -3.83 1.75 -1.26 -5.01 119.30 112.94 1wgp s MET 17 Ca 0.42 2.48 0.01 0.00 -1.25 0.00 0.00 55.69 57.35 1wgp s MET 17 Cb 0.28 -2.82 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 1wgp s MET 17 CO 0.18 -0.66 -0.05 0.34 -0.65 0.00 0.00 175.02 174.19 1wgp s ASP 18 N -0.34 4.79 0.13 1.11 2.15 -1.26 -4.97 116.67 118.28 1wgp s ASP 18 Ca 0.57 -0.03 -0.26 0.00 0.43 0.00 0.00 52.55 53.25 1wgp s ASP 18 Cb -0.45 -1.21 -0.06 0.00 -0.30 0.00 0.00 42.92 40.91 1wgp s ASP 18 CO 0.59 0.33 1.45 -0.62 -0.17 0.00 0.00 175.17 176.75 1wgp n GLU 19 N 1.89 -0.37 -0.30 4.34 1.02 -1.26 0.20 120.64 126.16 1wgp n GLU 19 Ca -0.17 1.42 0.25 0.00 -0.02 0.00 0.00 57.16 58.65 1wgp n GLU 19 Cb 0.53 -2.10 0.58 0.00 -0.02 0.00 0.00 31.44 30.43 1wgp n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgp h ARG 20 N 0.00 0.27 -0.14 3.49 2.47 -1.97 0.85 114.38 119.35 1wgp h ARG 20 Ca 0.13 -0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.64 1wgp h ARG 20 Cb 0.34 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1wgp h ARG 20 CO -0.79 0.18 -0.71 1.25 0.56 0.00 0.00 179.97 180.46 1wgp h LEU 21 N 0.28 0.73 0.36 3.04 5.85 0.20 -1.16 115.31 124.61 1wgp h LEU 21 Ca 0.57 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1wgp h LEU 21 Cb 1.65 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1wgp h LEU 21 CO -0.21 1.23 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.74 1wgp h LEU 22 N 0.44 -0.83 -0.00 2.25 -0.00 0.66 0.28 115.31 118.11 1wgp h LEU 22 Ca -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1wgp h LEU 22 Cb 1.31 0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 42.24 1wgp h LEU 22 CO 0.14 -0.46 -0.01 -0.78 -0.00 0.00 0.00 178.44 177.33 1wgp h ASP 23 N -0.69 -0.04 -0.24 -0.43 1.82 -1.27 0.14 116.42 115.72 1wgp h ASP 23 Ca -0.03 0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1wgp h ASP 23 Cb 0.61 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.57 1wgp h ASP 23 CO -0.03 -0.02 -0.51 0.00 -1.61 0.00 0.00 179.24 177.07 1wgp h ALA 24 N 0.98 -0.81 -0.37 -0.78 0.00 -0.92 1.49 119.26 118.86 1wgp h ALA 24 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1wgp h ALA 24 Cb 0.03 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1wgp h ALA 24 CO -0.02 -1.02 0.26 0.82 0.00 0.00 0.00 179.25 179.29 1wgp h ILE 25 N -0.46 0.83 -0.09 0.00 2.04 -0.26 0.33 117.51 119.91 1wgp h ILE 25 Ca 0.05 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1wgp h ILE 25 Cb 0.59 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1wgp h ILE 25 CO -0.47 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 177.64 1wgp h GLU 27 N -0.17 0.00 0.03 0.00 5.08 0.38 0.26 114.58 120.17 1wgp h GLU 27 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1wgp h GLU 27 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1wgp h GLU 27 CO 0.01 0.00 -1.02 0.00 -1.00 0.00 0.00 179.01 177.01 1wgp h ARG 28 N 0.00 0.41 -6.22 2.33 -0.00 -0.76 -3.45 114.38 106.70 1wgp h ARG 28 Ca 0.00 -0.48 -0.71 0.00 -0.50 0.00 0.00 59.98 58.29 1wgp h ARG 28 Cb 0.02 0.15 0.04 0.00 0.00 0.00 0.00 29.97 30.18 1wgp h ARG 28 CO 0.00 1.15 0.53 1.28 0.00 0.00 0.00 179.97 182.93 1wgp n LEU 29 N -3.71 1.67 -4.63 3.04 4.77 0.08 -4.80 117.00 113.41 1wgp n LEU 29 Ca -0.08 1.11 -0.25 0.00 -0.03 0.00 0.00 56.01 56.76 1wgp n LEU 29 Cb 0.88 -1.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1wgp n LEU 29 CO 0.52 -0.97 -0.35 -0.54 -1.33 0.00 0.00 177.39 174.72 1wgp s LYS 30 N 1.18 2.27 -0.46 3.23 1.02 -1.02 -4.90 119.74 121.06 1wgp s LYS 30 Ca 0.88 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 1wgp s LYS 30 Cb -1.02 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1wgp s LYS 30 CO 0.53 0.42 1.44 -1.25 -0.92 0.00 0.00 175.35 175.56 1wgp s PRO 31 N -3.16 3.45 0.10 -1.68 0.04 -1.26 -2.87 135.00 129.62 1wgp s PRO 31 Ca 0.28 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1wgp s PRO 31 Cb -0.08 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.40 1wgp s PRO 31 CO 0.18 -1.73 0.29 0.00 0.04 0.00 0.00 177.00 175.79 1wgp s LEU 33 N -2.79 2.01 -0.34 0.00 0.20 -1.26 -4.22 118.68 112.28 1wgp s LEU 33 Ca 0.03 -0.63 -0.07 0.00 0.69 0.00 0.00 54.13 54.15 1wgp s LEU 33 Cb 0.03 0.45 0.04 0.00 -0.43 0.00 0.00 46.19 46.28 1wgp s LEU 33 CO -0.11 -0.50 0.11 -0.36 -0.29 0.00 0.00 176.35 175.20 1wgp s PHE 34 N -2.75 3.25 0.10 5.38 0.08 -1.26 -5.06 117.98 117.71 1wgp s PHE 34 Ca -0.04 -1.34 -0.01 0.00 0.12 0.00 0.00 56.93 55.66 1wgp s PHE 34 Cb -0.00 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1wgp s PHE 34 CO -0.05 -0.71 0.13 0.25 -0.10 0.00 0.00 175.22 174.74 1wgp n THR 35 N 4.84 0.00 -2.06 0.64 -2.24 -1.26 -3.87 114.28 110.33 1wgp n THR 35 Ca -0.12 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 1wgp n THR 35 Cb 0.45 -1.72 -0.02 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.09 4.31 -0.70 -0.78 -1.05 -1.26 -2.74 118.70 113.38 1wgp s GLU 36 Ca 0.08 2.28 -0.04 0.00 -0.15 0.00 0.00 54.97 57.14 1wgp s GLU 36 Cb -0.00 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.64 1wgp s GLU 36 CO 0.05 -0.25 0.54 1.63 0.95 0.00 0.00 175.26 178.18 1wgp n LYS 37 N 0.77 -3.72 -3.85 -4.83 5.02 -1.07 -5.01 118.16 105.48 1wgp n LYS 37 Ca 0.00 0.43 -0.36 0.00 -2.02 0.00 0.00 58.31 56.36 1wgp n LYS 37 Cb 0.41 -4.24 -0.13 0.00 -0.02 0.00 0.00 35.03 31.05 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 -3.10 4.82 -0.47 4.39 0.01 -1.11 -4.94 113.70 113.29 1wgp s SER 38 Ca 0.27 -0.83 -0.16 0.00 1.31 0.00 0.00 55.95 56.53 1wgp s SER 38 Cb -0.12 -1.79 0.07 0.00 0.21 0.00 0.00 66.02 64.39 1wgp s SER 38 CO 0.33 -0.18 0.42 -0.31 0.41 0.00 0.00 173.24 173.91 1wgp s TYR 39 N 1.41 3.22 0.04 2.43 1.51 -1.26 0.54 117.35 125.24 1wgp s TYR 39 Ca 0.01 -0.87 -0.16 0.00 -1.01 0.00 0.00 57.07 55.05 1wgp s TYR 39 Cb -0.17 -3.20 -0.07 0.00 -0.11 0.00 0.00 41.96 38.40 1wgp s TYR 39 CO -0.00 -0.82 1.24 -0.07 -1.11 0.00 0.00 175.55 174.79 1wgp h LEU 40 N 8.87 -0.62 -8.24 -1.29 4.07 -1.92 -3.43 115.31 112.74 1wgp h LEU 40 Ca -0.28 0.05 -0.50 0.00 0.08 0.00 0.00 57.88 57.22 1wgp h LEU 40 Cb 1.11 0.21 -0.29 0.00 1.08 0.00 0.00 40.66 42.77 1wgp h LEU 40 CO 0.89 -0.29 -0.82 0.68 -1.08 0.00 0.00 178.44 177.82 1wgp s VAL 41 N -4.23 1.20 -0.05 1.22 -7.23 -1.26 -4.98 120.40 105.05 1wgp s VAL 41 Ca -0.08 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1wgp s VAL 41 Cb 0.02 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1wgp s VAL 41 CO 0.26 0.34 -0.16 -0.60 -0.31 0.00 0.00 175.10 174.63 1wgp s ARG 42 N -0.34 1.88 -0.01 4.82 3.52 -1.24 -2.53 118.95 125.05 1wgp s ARG 42 Ca 0.05 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 1wgp s ARG 42 Cb -0.06 -1.58 -0.06 0.00 -1.56 0.00 0.00 34.95 31.70 1wgp s ARG 42 CO -0.01 0.17 1.51 -2.00 -0.81 0.00 0.00 175.30 174.17 1wgp s GLU 43 N 0.25 4.23 0.00 5.12 2.12 -1.07 -2.58 118.70 126.78 1wgp s GLU 43 Ca -0.08 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.33 1wgp s GLU 43 Cb -0.13 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1wgp s GLU 43 CO 0.03 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 1wgp n GLY 44 N 3.85 1.73 3.93 -1.50 0.00 -1.26 -5.08 105.19 106.88 1wgp n GLY 44 Ca 0.15 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.44 6.35 0.96 1.61 1.01 -1.06 -5.02 116.67 120.08 1wgp s ASP 45 Ca 0.00 0.42 -0.14 0.00 0.71 0.00 0.00 52.55 53.54 1wgp s ASP 45 Cb 0.00 -2.02 0.17 0.00 1.01 0.00 0.00 42.92 42.08 1wgp s ASP 45 CO 0.00 -0.16 1.16 -2.16 0.21 0.00 0.00 175.17 174.23 1wgp s PRO 46 N -3.78 0.70 -0.30 8.23 0.04 -1.26 -3.73 135.00 134.90 1wgp s PRO 46 Ca 0.39 0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 1wgp s PRO 46 Cb -0.10 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1wgp s PRO 46 CO 0.32 -2.46 0.00 0.08 0.04 0.00 0.00 177.00 174.97 1wgp s VAL 47 N -3.34 3.04 -0.10 -0.36 1.01 -0.75 -4.83 120.40 115.08 1wgp s VAL 47 Ca 0.66 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1wgp s VAL 47 Cb -0.12 -2.72 -0.28 0.00 0.00 0.00 0.00 36.38 33.26 1wgp s VAL 47 CO 0.54 -0.07 0.62 -1.13 0.00 0.00 0.00 175.10 175.05 1wgp h ASN 48 N 8.02 0.37 -5.04 3.32 -1.24 -1.95 -3.42 115.58 115.64 1wgp h ASN 48 Ca -0.23 -0.86 -0.15 0.00 0.71 0.00 0.00 56.30 55.77 1wgp h ASN 48 Cb 1.07 -0.12 -0.19 0.00 0.73 0.00 0.00 38.32 39.80 1wgp h ASN 48 CO 0.54 1.55 -0.65 -1.83 -1.29 0.00 0.00 177.43 175.75 1wgp s GLU 49 N -2.46 0.42 0.09 6.67 1.03 -1.26 -2.72 118.70 120.47 1wgp s GLU 49 Ca -0.19 -0.71 -0.04 0.00 0.03 0.00 0.00 54.97 54.06 1wgp s GLU 49 Cb 0.04 0.15 -0.05 0.00 -0.80 0.00 0.00 34.13 33.47 1wgp s GLU 49 CO 0.77 -0.08 0.32 1.41 -1.33 0.00 0.00 175.26 176.35 1wgp s MET 50 N -2.02 3.58 -0.14 -4.83 1.75 0.61 -4.85 119.30 113.40 1wgp s MET 50 Ca -0.11 -0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 1wgp s MET 50 Cb -0.06 -2.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.66 1wgp s MET 50 CO -0.03 0.54 -0.14 -0.51 -0.65 0.00 0.00 175.02 174.23 1wgp s LEU 51 N -2.41 2.60 -0.40 4.11 2.01 -1.26 0.25 118.68 123.58 1wgp s LEU 51 Ca 0.37 -0.39 -0.06 0.00 0.01 0.00 0.00 54.13 54.06 1wgp s LEU 51 Cb -0.13 -1.59 0.09 0.00 0.01 0.00 0.00 46.19 44.58 1wgp s LEU 51 CO 0.23 0.13 0.21 -0.36 1.01 0.00 0.00 176.35 177.57 1wgp s PHE 52 N 0.56 3.43 0.06 0.29 0.40 -1.15 -3.60 117.98 117.97 1wgp s PHE 52 Ca -0.09 -1.93 -0.31 0.00 -0.60 0.00 0.00 56.93 54.00 1wgp s PHE 52 Cb -0.16 -2.98 -0.10 0.00 0.51 0.00 0.00 43.02 40.30 1wgp s PHE 52 CO 0.04 -0.90 1.90 -0.89 0.70 0.00 0.00 175.22 176.07 1wgp n ILE 53 N 4.75 0.56 -0.13 0.64 2.08 -1.26 -3.56 119.36 122.44 1wgp n ILE 53 Ca -0.07 -0.10 -0.28 0.00 0.56 0.00 0.00 62.75 62.85 1wgp n ILE 53 Cb 0.42 -2.17 -0.10 0.00 -0.75 0.00 0.00 39.64 37.04 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 5.10 1.47 -3.60 1.39 2.08 -1.15 -4.45 119.36 120.20 1wgp n ILE 54 Ca 0.19 -0.39 -0.03 0.00 0.56 0.00 0.00 62.75 63.09 1wgp n ILE 54 Cb 0.38 -1.84 -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 -2.49 0.49 0.00 0.38 0.52 -0.90 -4.86 118.95 112.09 1wgp s ARG 55 Ca -0.37 0.96 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1wgp s ARG 55 Cb 0.14 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.91 1wgp s ARG 55 CO 0.48 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.09 1wgp n GLY 56 N 4.41 0.08 3.20 -3.53 0.00 -1.26 -1.98 105.19 106.12 1wgp n GLY 56 Ca -0.16 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.00 0.92 0.30 1.61 1.81 -1.26 -4.77 118.95 115.56 1wgp s ARG 57 Ca 0.00 -1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 52.56 1wgp s ARG 57 Cb 0.00 -0.58 0.02 0.00 -0.45 0.00 0.00 34.95 33.94 1wgp s ARG 57 CO 0.00 0.08 0.71 -0.51 -0.68 0.00 0.00 175.30 174.91 1wgp s LEU 58 N -2.66 -0.17 -0.16 2.53 1.02 -1.26 -4.55 118.68 113.43 1wgp s LEU 58 Ca 0.09 -0.72 0.01 0.00 0.02 0.00 0.00 54.13 53.53 1wgp s LEU 58 Cb -0.01 2.68 0.02 0.00 0.02 0.00 0.00 46.19 48.89 1wgp s LEU 58 CO 0.00 -1.39 -0.19 -1.83 0.02 0.00 0.00 176.35 172.96 1wgp s GLU 59 N -3.66 2.83 -0.14 1.70 -1.05 -1.13 -4.02 118.70 113.23 1wgp s GLU 59 Ca 0.13 -0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 54.10 1wgp s GLU 59 Cb -0.05 -2.40 -0.04 0.00 -0.44 0.00 0.00 34.13 31.19 1wgp s GLU 59 CO 0.08 -0.14 0.12 0.45 0.95 0.00 0.00 175.26 176.72 1wgp s SER 60 N 1.15 6.21 0.03 0.83 0.15 0.27 -2.87 113.70 119.47 1wgp s SER 60 Ca 0.00 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1wgp s SER 60 Cb -0.14 -2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 1wgp s SER 60 CO -0.08 0.33 -0.05 -0.69 1.20 0.00 0.00 173.24 173.94 1wgp s VAL 61 N -0.54 0.30 -0.01 4.45 1.01 -0.28 0.33 120.40 125.66 1wgp s VAL 61 Ca 0.12 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wgp s VAL 61 Cb -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1wgp s VAL 61 CO 0.02 -0.49 -0.01 0.28 0.00 0.00 0.00 175.10 174.90 1wgp s THR 62 N -1.59 0.15 -0.18 3.92 -1.32 -1.23 -3.18 115.64 112.21 1wgp s THR 62 Ca -0.12 -0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.18 1wgp s THR 62 Cb -0.09 -0.16 -0.08 0.00 -1.51 0.00 0.00 72.50 70.67 1wgp s THR 62 CO -0.01 0.06 -0.17 0.35 -2.21 0.00 0.00 174.62 172.65 1wgp n THR 63 N 3.27 1.47 -2.92 5.08 -2.24 -1.26 -3.23 114.28 114.45 1wgp n THR 63 Ca -0.16 0.09 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1wgp n THR 63 Cb 0.57 -2.27 -0.01 0.00 -2.10 0.00 0.00 70.33 66.53 1wgp n THR 63 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wgp n ASP 64 N -4.51 -5.96 -4.62 3.42 8.00 -1.26 -4.73 116.55 106.89 1wgp n ASP 64 Ca -0.18 1.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.97 1wgp n ASP 64 Cb 0.47 -3.33 -0.10 0.00 -0.02 0.00 0.00 41.12 38.14 1wgp n ASP 64 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1wgp s GLY 65 N -0.89 1.91 0.00 0.44 0.00 -1.26 -4.62 107.32 102.91 1wgp s GLY 65 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1wgp s GLY 65 CO 0.37 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.26 1wgp n GLY 66 N 3.83 0.56 0.00 0.20 0.00 -1.26 -5.01 105.19 103.51 1wgp n GLY 66 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.12 1.61 0.00 -1.26 -5.15 116.66 107.73 1wgp n ARG 67 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1wgp n ARG 67 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 1wgp n ARG 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wgp s SER 68 N 0.00 0.26 -0.65 6.15 0.15 -1.26 -5.10 113.70 113.26 1wgp s SER 68 Ca 0.00 -1.17 0.06 0.00 0.70 0.00 0.00 55.95 55.54 1wgp s SER 68 Cb 0.00 0.32 0.25 0.00 -1.71 0.00 0.00 66.02 64.88 1wgp s SER 68 CO 0.00 -0.76 0.75 0.61 1.20 0.00 0.00 173.24 175.05 1wgp n GLY 69 N -0.12 4.81 3.19 9.45 0.00 -1.26 -4.74 105.19 116.52 1wgp n GLY 69 Ca -0.05 -2.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.08 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 -2.46 -0.46 -0.40 1.61 2.19 -1.26 -5.12 117.98 112.08 1wgp s PHE 70 Ca 0.39 1.03 -0.24 0.00 0.33 0.00 0.00 56.93 58.44 1wgp s PHE 70 Cb 0.14 0.16 0.02 0.00 -1.31 0.00 0.00 43.02 42.03 1wgp s PHE 70 CO -0.01 -0.27 0.85 0.71 1.83 0.00 0.00 175.22 178.33 1wgp s TYR 71 N 1.05 3.05 -0.63 10.12 1.51 -1.26 -4.86 117.35 126.34 1wgp s TYR 71 Ca -0.07 0.52 -0.22 0.00 -1.01 0.00 0.00 57.07 56.29 1wgp s TYR 71 Cb -0.08 -3.61 0.07 0.00 -0.11 0.00 0.00 41.96 38.23 1wgp s TYR 71 CO -0.08 -0.86 0.91 -0.80 -1.11 0.00 0.00 175.55 173.61 1wgp s ASN 72 N 1.98 6.20 0.24 2.29 0.01 -1.20 -4.95 114.94 119.51 1wgp s ASN 72 Ca 0.34 -0.94 -0.30 0.00 -0.71 0.00 0.00 52.86 51.25 1wgp s ASN 72 Cb -0.12 -2.40 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1wgp s ASN 72 CO 0.20 -1.34 0.99 -0.60 -1.51 0.00 0.00 177.10 174.84 1wgp s ARG 73 N 3.81 4.78 0.25 -0.60 3.52 -1.26 -3.48 118.95 125.97 1wgp s ARG 73 Ca 0.22 1.59 -0.03 0.00 -0.13 0.00 0.00 55.73 57.37 1wgp s ARG 73 Cb -0.17 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1wgp s ARG 73 CO 0.11 0.40 0.27 -1.12 -0.81 0.00 0.00 175.30 174.16 1wgp s SER 74 N -1.01 0.39 0.14 -2.12 0.01 0.15 -5.01 113.70 106.26 1wgp s SER 74 Ca 0.42 -1.35 0.09 0.00 1.31 0.00 0.00 55.95 56.43 1wgp s SER 74 Cb -0.28 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 1wgp s SER 74 CO 0.35 -1.00 -0.21 -0.22 0.41 0.00 0.00 173.24 172.57 1wgp s LEU 75 N -3.17 2.37 0.31 2.44 2.96 -1.26 -0.56 118.68 121.77 1wgp s LEU 75 Ca 0.34 -0.78 0.10 0.00 -0.22 0.00 0.00 54.13 53.58 1wgp s LEU 75 Cb 0.04 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 1wgp s LEU 75 CO 0.14 0.05 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.39 1wgp s LEU 76 N -2.29 2.85 0.00 -0.68 1.43 -1.26 -4.88 118.68 113.86 1wgp s LEU 76 Ca 0.12 -1.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.26 1wgp s LEU 76 Cb -0.08 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1wgp s LEU 76 CO 0.06 -0.12 0.12 2.29 0.23 0.00 0.00 176.35 178.94 1wgp n LYS 77 N -0.81 0.62 -1.81 1.70 2.85 -1.26 -4.59 118.16 114.86 1wgp n LYS 77 Ca -0.05 -2.56 -0.42 0.00 -1.05 0.00 0.00 58.31 54.23 1wgp n LYS 77 Cb 0.61 1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 36.44 1wgp n LYS 77 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1wgp s GLU 78 N -3.14 4.16 0.00 -1.58 8.01 -1.26 -2.26 118.70 122.63 1wgp s GLU 78 Ca 0.17 2.45 0.00 0.00 0.01 0.00 0.00 54.97 57.60 1wgp s GLU 78 Cb 0.01 -4.03 0.00 0.00 -4.31 0.00 0.00 34.13 25.80 1wgp s GLU 78 CO 0.12 -0.90 0.00 0.41 0.01 0.00 0.00 175.26 174.91 1wgp n GLY 79 N 4.35 1.80 3.75 -1.39 0.00 -1.26 -4.89 105.19 107.55 1wgp n GLY 79 Ca 0.19 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1wgp n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wgp s ASP 80 N -0.44 6.96 0.21 1.61 1.01 -0.96 -4.67 116.67 120.39 1wgp s ASP 80 Ca 0.00 2.45 0.11 0.00 0.71 0.00 0.00 52.55 55.82 1wgp s ASP 80 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1wgp s ASP 80 CO 0.00 -0.43 -0.21 0.72 0.21 0.00 0.00 175.17 175.46 1wgp s PHE 81 N -0.59 2.35 0.44 4.23 -0.12 -1.26 -4.30 117.98 118.74 1wgp s PHE 81 Ca 0.51 -0.33 0.06 0.00 -0.05 0.00 0.00 56.93 57.12 1wgp s PHE 81 Cb -0.36 -1.14 -0.03 0.00 -0.63 0.00 0.00 43.02 40.86 1wgp s PHE 81 CO 0.43 0.54 0.20 0.00 -0.05 0.00 0.00 175.22 176.34 1wgp n GLY 83 N -1.32 -0.39 0.30 0.00 0.00 -1.26 -4.44 105.19 98.07 1wgp n GLY 83 Ca -0.03 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.36 0.00 -0.02 1.61 3.04 -1.94 0.77 116.42 119.53 1wgp h ASP 84 Ca -0.25 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.55 1wgp h ASP 84 Cb 1.03 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.32 1wgp h ASP 84 CO 0.37 0.00 0.15 -0.33 -2.04 0.00 0.00 179.24 177.39 1wgp h GLU 85 N 0.00 0.00 -0.06 4.15 4.39 -1.96 0.14 114.58 121.24 1wgp h GLU 85 Ca 0.02 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 1wgp h GLU 85 Cb 0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1wgp h GLU 85 CO -0.00 0.00 -0.80 1.25 -1.16 0.00 0.00 179.01 178.30 1wgp h LEU 86 N 0.00 0.81 -0.13 1.33 5.85 -1.18 0.21 115.31 122.20 1wgp h LEU 86 Ca 0.01 -0.69 0.03 0.00 0.84 0.00 0.00 57.88 58.06 1wgp h LEU 86 Cb 0.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1wgp h LEU 86 CO -0.00 1.39 -0.06 0.25 -0.34 0.00 0.00 178.44 179.67 1wgp h LEU 87 N 0.31 -0.21 -0.44 2.25 5.85 -0.84 -2.22 115.31 119.99 1wgp h LEU 87 Ca -0.08 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 1wgp h LEU 87 Cb 1.46 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1wgp h LEU 87 CO 0.16 -0.09 -0.53 0.74 -0.34 0.00 0.00 178.44 178.39 1wgp h THR 88 N -0.05 1.30 -0.45 1.05 2.02 -1.54 -3.16 112.91 112.08 1wgp h THR 88 Ca 0.07 -1.74 0.04 0.00 0.77 0.00 0.00 66.41 65.56 1wgp h THR 88 Cb 0.16 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1wgp h THR 88 CO -0.16 0.55 -0.33 -0.25 0.37 0.00 0.00 175.52 175.70 1wgp h TRP 89 N 0.54 -1.05 -0.64 3.16 7.01 0.00 0.79 115.95 125.78 1wgp h TRP 89 Ca 0.02 0.06 0.13 0.00 2.11 0.00 0.00 58.89 61.21 1wgp h TRP 89 Cb 1.09 0.52 -0.12 0.00 -2.10 0.00 0.00 29.16 28.55 1wgp h TRP 89 CO 0.06 -0.23 -0.12 0.00 -2.79 0.00 0.00 178.44 175.35 1wgp h ALA 90 N -0.30 0.48 -0.95 2.65 0.00 -1.48 0.84 119.26 120.49 1wgp h ALA 90 Ca 0.07 0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.40 1wgp h ALA 90 Cb 0.27 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1wgp h ALA 90 CO -0.47 -0.42 0.61 -0.07 0.00 0.00 0.00 179.25 178.90 1wgp h LEU 91 N 0.02 0.65 -8.90 0.00 -0.00 -0.10 -3.37 115.31 103.60 1wgp h LEU 91 Ca 0.31 0.06 -0.57 0.00 -0.00 0.00 0.00 57.88 57.69 1wgp h LEU 91 Cb 0.49 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.04 1wgp h LEU 91 CO -0.63 0.27 0.90 -0.62 -0.00 0.00 0.00 178.44 178.35 1wgp s ASP 92 N -5.57 6.80 0.14 -0.43 2.15 0.29 -4.89 116.67 115.16 1wgp s ASP 92 Ca -0.10 0.97 -0.04 0.00 0.43 0.00 0.00 52.55 53.81 1wgp s ASP 92 Cb 0.23 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.26 1wgp s ASP 92 CO 0.79 -1.01 1.34 1.55 -0.17 0.00 0.00 175.17 177.67 1wgp h PRO 93 N 8.65 0.43 -0.96 4.34 0.13 -1.77 -3.15 132.00 139.67 1wgp h PRO 93 Ca -0.22 -0.42 0.14 0.00 -0.87 0.00 0.00 66.00 64.63 1wgp h PRO 93 Cb 1.07 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1wgp h PRO 93 CO 1.05 1.08 0.61 0.87 -0.23 0.00 0.00 178.00 181.38 1wgp h LYS 94 N 0.26 0.81 -6.57 0.86 1.79 -1.91 -3.42 116.57 108.39 1wgp h LYS 94 Ca -0.06 -0.05 -0.54 0.00 -2.18 0.00 0.00 60.65 57.82 1wgp h LYS 94 Cb 1.49 -0.18 0.22 0.00 -1.58 0.00 0.00 32.23 32.18 1wgp h LYS 94 CO 0.15 0.53 -0.93 0.43 -1.08 0.00 0.00 179.45 178.55 1wgp n SER 95 N -4.62 -3.19 0.00 0.86 7.64 -1.19 -4.91 113.62 108.20 1wgp n SER 95 Ca 0.19 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1wgp n SER 95 Cb 0.45 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1wgp n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 96 N 2.05 -0.15 5.16 0.23 0.00 -1.26 -5.05 105.19 106.17 1wgp n GLY 96 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.00 -3.94 1.61 7.64 -1.26 -4.55 113.62 113.12 1wgp n SER 97 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1wgp n SER 97 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wgp n SER 97 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1wgp s ASN 98 N -1.98 0.15 0.85 6.43 2.47 -1.26 -5.14 114.94 116.46 1wgp s ASN 98 Ca 0.00 -0.36 -0.16 0.00 0.42 0.00 0.00 52.86 52.76 1wgp s ASN 98 Cb 0.00 0.13 -0.06 0.00 -1.45 0.00 0.00 41.25 39.87 1wgp s ASN 98 CO 0.00 -0.30 0.03 0.18 -3.72 0.00 0.00 177.10 173.29 1wgp n LEU 99 N 1.69 -1.99 0.00 3.21 4.77 -1.26 -4.96 117.00 118.45 1wgp n LEU 99 Ca -0.23 0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 55.86 1wgp n LEU 99 Cb 0.56 -1.04 0.23 0.00 -2.33 0.00 0.00 43.42 40.83 1wgp n LEU 99 CO 0.21 -4.32 0.74 -0.81 -1.33 0.00 0.00 177.39 171.88 1wgp n PRO 100 N 0.14 -2.20 -4.45 3.23 -0.04 -1.26 -4.73 135.00 125.69 1wgp n PRO 100 Ca 0.05 -1.89 -0.32 0.00 -0.04 0.00 0.00 63.50 61.30 1wgp n PRO 100 Cb 0.53 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -5.14 3.07 -0.05 3.54 0.01 -1.26 -1.81 113.70 112.05 1wgp s SER 101 Ca 0.73 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 57.08 1wgp s SER 101 Cb -0.04 -1.43 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 1wgp s SER 101 CO 0.53 0.05 1.00 -0.55 0.41 0.00 0.00 173.24 174.68 1wgp s SER 102 N 1.00 7.30 -0.14 2.44 0.15 -1.24 -4.91 113.70 118.30 1wgp s SER 102 Ca -0.03 1.60 0.07 0.00 0.70 0.00 0.00 55.95 58.29 1wgp s SER 102 Cb -0.15 -2.56 0.43 0.00 -1.71 0.00 0.00 66.02 62.03 1wgp s SER 102 CO -0.06 -0.36 1.20 1.07 1.20 0.00 0.00 173.24 176.30 1wgp n THR 103 N 4.24 1.56 -4.30 6.45 5.66 -1.26 -3.67 114.28 122.95 1wgp n THR 103 Ca 0.07 -0.78 -0.24 0.00 -3.05 0.00 0.00 64.05 60.06 1wgp n THR 103 Cb 0.50 -0.42 -0.08 0.00 -1.55 0.00 0.00 70.33 68.78 1wgp n THR 103 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1wgp s ARG 104 N -1.92 2.22 -0.30 1.09 3.52 -1.26 -4.88 118.95 117.42 1wgp s ARG 104 Ca 0.29 -1.39 -0.01 0.00 -0.13 0.00 0.00 55.73 54.49 1wgp s ARG 104 Cb 0.23 -2.15 0.13 0.00 -1.56 0.00 0.00 34.95 31.59 1wgp s ARG 104 CO 0.08 0.38 0.24 0.99 -0.81 0.00 0.00 175.30 176.18 1wgp s THR 105 N -2.17 -0.25 0.34 4.11 2.01 -1.19 -2.58 115.64 115.90 1wgp s THR 105 Ca 0.30 -0.70 0.10 0.00 0.31 0.00 0.00 61.69 61.69 1wgp s THR 105 Cb -0.07 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 1wgp s THR 105 CO 0.19 -0.60 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.72 1wgp s VAL 106 N 2.11 2.28 -0.03 3.82 1.01 -1.05 -1.13 120.40 127.42 1wgp s VAL 106 Ca 0.10 -2.22 -0.24 0.00 0.00 0.00 0.00 61.98 59.63 1wgp s VAL 106 Cb -0.15 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1wgp s VAL 106 CO -0.30 -0.22 0.52 -0.75 0.00 0.00 0.00 175.10 174.35 1wgp s LYS 107 N -3.60 0.90 -0.43 2.72 2.36 -1.14 -3.26 119.74 117.28 1wgp s LYS 107 Ca 0.32 0.04 -0.21 0.00 -2.55 0.00 0.00 55.97 53.58 1wgp s LYS 107 Cb 0.02 0.41 0.02 0.00 -1.05 0.00 0.00 37.83 37.23 1wgp s LYS 107 CO 0.16 -0.27 0.65 0.00 1.55 0.00 0.00 175.35 177.44 1wgp s ALA 108 N -1.33 3.35 -0.11 3.13 0.00 0.19 -2.81 121.76 124.18 1wgp s ALA 108 Ca -0.12 -1.16 0.20 0.00 0.00 0.00 0.00 51.96 50.89 1wgp s ALA 108 Cb -0.02 -3.30 -0.24 0.00 0.00 0.00 0.00 23.12 19.56 1wgp s ALA 108 CO 0.07 -1.75 0.50 1.28 0.00 0.00 0.00 175.76 175.87 1wgp n LEU 109 N 6.27 0.26 -4.06 0.00 4.32 -1.26 -2.59 117.00 119.93 1wgp n LEU 109 Ca -0.01 0.11 -0.09 0.00 -0.02 0.00 0.00 56.01 56.00 1wgp n LEU 109 Cb 0.48 0.13 -0.10 0.00 -1.62 0.00 0.00 43.42 42.31 1wgp n LEU 109 CO 0.53 0.13 -0.37 0.28 -1.22 0.00 0.00 177.39 176.75 1wgp s THR 110 N -3.14 0.27 0.01 -5.08 -1.32 -1.26 -4.93 115.64 100.20 1wgp s THR 110 Ca -0.07 -1.44 -0.39 0.00 -1.21 0.00 0.00 61.69 58.58 1wgp s THR 110 Cb 0.11 -1.01 -0.19 0.00 -1.51 0.00 0.00 72.50 69.89 1wgp s THR 110 CO 0.86 -0.75 1.14 1.21 -2.21 0.00 0.00 174.62 174.87 1wgp n GLU 111 N 0.74 0.27 -4.28 7.08 2.13 -1.26 -4.71 120.64 120.61 1wgp n GLU 111 Ca -0.18 0.10 -0.15 0.00 0.66 0.00 0.00 57.16 57.59 1wgp n GLU 111 Cb 0.58 -1.63 -0.10 0.00 0.27 0.00 0.00 31.44 30.56 1wgp n GLU 111 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wgp s VAL 112 N 0.18 0.90 -0.11 6.31 -7.23 -1.25 -4.44 120.40 114.76 1wgp s VAL 112 Ca 0.90 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1wgp s VAL 112 Cb -1.20 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1wgp s VAL 112 CO 0.55 -0.45 0.06 -1.61 -0.31 0.00 0.00 175.10 173.34 1wgp s GLU 113 N -3.87 0.14 0.32 4.82 0.41 -0.84 -4.29 118.70 115.40 1wgp s GLU 113 Ca 0.25 0.09 -0.19 0.00 -0.41 0.00 0.00 54.97 54.71 1wgp s GLU 113 Cb 0.05 -1.22 0.04 0.00 -1.78 0.00 0.00 34.13 31.22 1wgp s GLU 113 CO 0.05 -0.48 0.77 0.00 -0.49 0.00 0.00 175.26 175.11 1wgp s ALA 114 N 2.10 -1.01 0.47 5.21 0.00 -1.26 -2.11 121.76 125.15 1wgp s ALA 114 Ca 0.03 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.55 1wgp s ALA 114 Cb -0.14 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1wgp s ALA 114 CO -0.06 -1.02 0.30 -0.06 0.00 0.00 0.00 175.76 174.93 1wgp s PHE 115 N -3.09 2.25 0.17 0.00 0.40 -1.23 -4.16 117.98 112.31 1wgp s PHE 115 Ca 0.13 -0.67 0.09 0.00 -0.60 0.00 0.00 56.93 55.88 1wgp s PHE 115 Cb -0.05 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1wgp s PHE 115 CO 0.09 -0.13 -0.12 0.00 0.70 0.00 0.00 175.22 175.76 1wgp s ALA 116 N -2.64 2.88 -0.06 5.36 0.00 -1.14 -2.91 121.76 123.24 1wgp s ALA 116 Ca 0.39 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 1wgp s ALA 116 Cb -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1wgp s ALA 116 CO 0.22 0.48 0.03 -1.17 0.00 0.00 0.00 175.76 175.32 1wgp s LEU 117 N -2.74 0.39 0.24 0.00 1.98 0.14 -2.42 118.68 116.27 1wgp s LEU 117 Ca 0.24 -0.04 -0.22 0.00 -2.89 0.00 0.00 54.13 51.22 1wgp s LEU 117 Cb -0.09 -0.30 -0.09 0.00 0.66 0.00 0.00 46.19 46.37 1wgp s LEU 117 CO 0.14 -0.22 0.79 -0.51 -1.89 0.00 0.00 176.35 174.66 1wgp s ILE 118 N 2.06 4.44 0.06 6.68 2.07 -1.26 0.22 121.20 135.48 1wgp s ILE 118 Ca 0.05 1.49 -0.21 0.00 -1.41 0.00 0.00 60.65 60.57 1wgp s ILE 118 Cb -0.12 -3.94 -0.12 0.00 0.13 0.00 0.00 42.46 38.40 1wgp s ILE 118 CO -0.04 0.24 1.46 0.00 -1.91 0.00 0.00 174.94 174.68 1wgp h ALA 119 N 3.49 0.22 -0.09 1.50 0.00 -1.87 -2.62 119.26 119.88 1wgp h ALA 119 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1wgp h ALA 119 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wgp h ALA 119 CO 0.65 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 1wgp n ASP 120 N -4.70 0.00 -0.25 0.00 9.92 -1.26 0.93 116.55 121.19 1wgp n ASP 120 Ca -0.05 0.98 0.32 0.00 -0.53 0.00 0.00 54.79 55.52 1wgp n ASP 120 Cb 0.25 -0.48 0.72 0.00 -0.64 0.00 0.00 41.12 40.96 1wgp n ASP 120 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wgp h GLU 121 N 0.00 0.00 0.09 -1.24 4.39 -1.99 -1.15 114.58 114.68 1wgp h GLU 121 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wgp h GLU 121 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1wgp h GLU 121 CO 0.00 0.00 -0.04 1.25 -1.16 0.00 0.00 179.01 179.06 1wgp h LEU 122 N 0.00 -0.10 -0.98 1.33 6.46 0.95 -2.13 115.31 120.84 1wgp h LEU 122 Ca 0.50 0.00 0.25 0.00 -0.12 0.00 0.00 57.88 58.51 1wgp h LEU 122 Cb 2.17 0.03 -0.18 0.00 -0.73 0.00 0.00 40.66 41.94 1wgp h LEU 122 CO -0.01 -0.05 -0.05 0.11 -0.62 0.00 0.00 178.44 177.82 1wgp h LYS 123 N -0.15 0.01 -0.04 1.25 1.57 0.66 1.67 116.57 121.54 1wgp h LYS 123 Ca -0.01 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1wgp h LYS 123 Cb 0.09 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1wgp h LYS 123 CO 0.02 0.00 -0.49 0.35 -0.57 0.00 0.00 179.45 178.77 1wgp h PHE 124 N 0.01 -1.42 0.00 -1.35 3.04 -1.30 -0.11 116.94 115.82 1wgp h PHE 124 Ca 0.56 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.48 1wgp h PHE 124 Cb 1.08 0.63 -0.01 0.00 2.56 0.00 0.00 35.95 40.21 1wgp h PHE 124 CO -0.57 -0.54 -0.36 -0.24 -2.02 0.00 0.00 178.31 174.58 1wgp h VAL 125 N -0.61 1.12 -1.01 1.41 3.04 0.32 -2.57 116.25 117.95 1wgp h VAL 125 Ca 0.04 -1.29 0.24 0.00 -1.01 0.00 0.00 66.70 64.68 1wgp h VAL 125 Cb 0.69 1.72 -0.09 0.00 -2.01 0.00 0.00 31.29 31.60 1wgp h VAL 125 CO -0.37 0.35 0.65 0.00 -1.01 0.00 0.00 177.57 177.19 1wgp h ALA 126 N 1.64 2.16 0.00 3.17 0.00 0.41 1.34 119.26 127.98 1wgp h ALA 126 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wgp h ALA 126 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wgp h ALA 126 CO 0.05 -0.53 -0.40 1.03 0.00 0.00 0.00 179.25 179.39 1wgp h SER 127 N 0.44 0.00 0.90 0.00 0.87 -0.97 -3.06 113.55 111.73 1wgp h SER 127 Ca 0.57 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1wgp h SER 127 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1wgp h SER 127 CO -0.28 0.33 0.00 0.00 -0.53 0.00 0.00 176.83 176.35 1wgp n GLN 128 N -3.16 0.05 -0.27 2.24 1.13 0.44 -3.71 117.38 114.11 1wgp n GLN 128 Ca 0.02 0.13 0.03 0.00 -1.94 0.00 0.00 57.00 55.24 1wgp n GLN 128 Cb 0.67 -1.57 0.11 0.00 0.11 0.00 0.00 30.24 29.56 1wgp n GLN 128 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1wgp h PHE 129 N 0.00 -0.34 -2.68 1.08 -1.00 -1.00 -3.42 116.94 109.58 1wgp h PHE 129 Ca 0.00 0.07 -0.55 0.00 2.81 0.00 0.00 57.97 60.29 1wgp h PHE 129 Cb 0.45 0.27 0.21 0.00 3.61 0.00 0.00 35.95 40.50 1wgp h PHE 129 CO 0.00 -0.32 -1.07 2.89 -1.61 0.00 0.00 178.31 178.20 1wgp n ARG 130 N -5.48 -0.01 -3.50 1.51 1.85 -1.24 -4.76 116.66 105.03 1wgp n ARG 130 Ca 0.12 0.02 -0.32 0.00 -1.00 0.00 0.00 57.85 56.67 1wgp n ARG 130 Cb 0.42 -1.44 -0.05 0.00 -1.05 0.00 0.00 32.46 30.34 1wgp n ARG 130 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1wgp s ARG 131 N -2.51 3.74 0.00 2.89 1.70 -1.26 -5.06 118.95 118.45 1wgp s ARG 131 Ca 0.53 0.15 0.04 0.00 -0.47 0.00 0.00 55.73 55.98 1wgp s ARG 131 Cb -0.27 -2.72 -0.01 0.00 -0.57 0.00 0.00 34.95 31.38 1wgp s ARG 131 CO 0.71 0.37 -0.13 -1.12 -1.08 0.00 0.00 175.30 174.04 1wgp s SER 132 N -2.38 1.56 0.00 -2.89 0.01 -1.26 -5.09 113.70 103.65 1wgp s SER 132 Ca 0.45 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1wgp s SER 132 Cb -0.12 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1wgp s SER 132 CO 0.22 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1wgp n GLY 133 N 2.56 -2.15 3.79 3.44 0.00 -1.26 -5.03 105.19 106.55 1wgp n GLY 133 Ca -0.15 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 1wgp n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgp s PRO 134 N -0.42 1.43 -0.05 1.61 0.04 -1.26 -5.04 135.00 131.31 1wgp s PRO 134 Ca 0.00 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 1wgp s PRO 134 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1wgp s PRO 134 CO 0.00 -2.02 -0.16 0.45 0.04 0.00 0.00 177.00 175.31 1wgp n SER 135 N -3.67 1.36 0.26 6.66 2.88 -1.26 -4.81 113.62 115.05 1wgp n SER 135 Ca 0.07 0.21 -0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1wgp n SER 135 Cb 0.58 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 1wgp n SER 135 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wgp h SER 136 N -0.45 -0.59 0.00 -3.46 0.87 -2.06 -3.56 113.55 104.30 1wgp h SER 136 Ca -0.07 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1wgp h SER 136 Cb 0.62 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1wgp h SER 136 CO -0.04 -0.21 0.00 0.61 -0.53 0.00 0.00 176.83 176.66