#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 1.93 0.19 1.61 7.64 -1.26 -5.04 113.62 118.70 1wgp n SER 2 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1wgp n SER 2 Cb 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1wgp n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgp n SER 3 N -4.44 -3.11 0.02 6.43 7.64 -1.26 -5.10 113.62 113.81 1wgp n SER 3 Ca -0.20 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1wgp n SER 3 Cb 0.56 2.98 0.00 0.00 -1.01 0.00 0.00 64.21 66.74 1wgp n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 4 N -1.06 -1.92 3.54 0.23 0.00 -1.26 -5.07 105.19 99.64 1wgp n GLY 4 Ca 0.00 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.18 1wgp n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgp n SER 5 N -2.29 1.83 -3.26 1.61 3.41 -1.26 -4.83 113.62 108.83 1wgp n SER 5 Ca 0.00 -0.30 -0.05 0.00 -0.26 0.00 0.00 58.87 58.25 1wgp n SER 5 Cb 0.00 -1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 62.49 1wgp n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wgp s SER 6 N 11.25 -0.19 0.00 4.04 0.01 -1.26 -4.99 113.70 122.56 1wgp s SER 6 Ca 1.08 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1wgp s SER 6 Cb -0.47 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.14 1wgp s SER 6 CO 0.33 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wgp n GLY 7 N 5.37 0.83 3.13 3.44 0.00 -1.26 -5.08 105.19 111.63 1wgp n GLY 7 Ca 0.01 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.06 -9.46 -2.27 1.61 0.31 -1.26 -4.84 118.33 101.36 1wgp n VAL 8 Ca 0.00 -0.84 -0.33 0.00 -0.01 0.00 0.00 64.34 63.16 1wgp n VAL 8 Cb 0.00 -6.64 -0.04 0.00 -0.91 0.00 0.00 33.84 26.25 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 -3.75 3.03 -1.59 5.55 1.81 -1.26 -3.91 118.95 118.82 1wgp s ARG 9 Ca 0.25 -0.84 -0.13 0.00 -1.72 0.00 0.00 55.73 53.30 1wgp s ARG 9 Cb -0.03 -5.23 0.10 0.00 -0.45 0.00 0.00 34.95 29.34 1wgp s ARG 9 CO 0.73 -2.96 0.72 -2.13 -0.68 0.00 0.00 175.30 170.98 1wgp n ARG 10 N 8.75 -3.63 -2.67 3.54 0.00 -1.26 -4.90 116.66 116.49 1wgp n ARG 10 Ca 0.39 0.42 -0.40 0.00 -0.00 0.00 0.00 57.85 58.27 1wgp n ARG 10 Cb 0.48 -5.02 -0.06 0.00 0.00 0.00 0.00 32.46 27.87 1wgp n ARG 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wgp s VAL 11 N -3.47 3.92 0.17 5.15 1.01 -1.25 -4.96 120.40 120.96 1wgp s VAL 11 Ca 0.53 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.38 1wgp s VAL 11 Cb -0.28 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 1wgp s VAL 11 CO 0.90 0.40 1.39 1.55 0.00 0.00 0.00 175.10 179.35 1wgp h PRO 12 N 3.89 0.30 -0.46 2.72 0.13 -1.98 -3.33 132.00 133.28 1wgp h PRO 12 Ca -0.46 -0.29 0.04 0.00 -0.87 0.00 0.00 66.00 64.42 1wgp h PRO 12 Cb 1.20 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1wgp h PRO 12 CO 0.67 0.97 -0.31 -0.07 -0.23 0.00 0.00 178.00 179.03 1wgp h LEU 13 N 0.19 -1.13 -5.03 1.56 3.38 -2.02 -0.43 115.31 111.83 1wgp h LEU 13 Ca -0.04 0.17 -0.67 0.00 0.09 0.00 0.00 57.88 57.42 1wgp h LEU 13 Cb 1.43 0.49 0.03 0.00 0.09 0.00 0.00 40.66 42.69 1wgp h LEU 13 CO 0.13 -0.15 3.82 0.49 0.09 0.00 0.00 178.44 182.83 1wgp n PHE 14 N -4.20 2.43 -0.08 1.13 3.72 -1.25 -4.45 117.46 114.77 1wgp n PHE 14 Ca 0.00 -3.09 -0.15 0.00 -0.05 0.00 0.00 57.45 54.16 1wgp n PHE 14 Cb 0.15 -2.48 -0.11 0.00 -0.94 0.00 0.00 39.48 36.09 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 5.00 0.00 0.04 -1.08 5.08 -1.27 -3.36 114.58 118.99 1wgp h GLU 15 Ca 0.87 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.99 1wgp h GLU 15 Cb 0.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1wgp h GLU 15 CO 1.78 0.91 -1.04 -2.95 -1.00 0.00 0.00 179.01 176.71 1wgp h ASN 16 N -1.00 0.55 -1.71 1.42 7.08 -1.84 -3.46 115.58 116.62 1wgp h ASN 16 Ca -0.10 -0.47 -0.53 0.00 -3.08 0.00 0.00 56.30 52.12 1wgp h ASN 16 Cb 1.01 -0.17 0.15 0.00 -2.08 0.00 0.00 38.32 37.23 1wgp h ASN 16 CO -0.06 1.30 -0.98 0.23 -2.08 0.00 0.00 177.43 175.84 1wgp n MET 17 N -3.70 0.00 -4.18 4.14 2.81 -1.26 -4.96 117.12 109.98 1wgp n MET 17 Ca -0.08 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.54 1wgp n MET 17 Cb 0.89 -0.87 -0.07 0.00 -0.71 0.00 0.00 33.22 32.46 1wgp n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wgp s ASP 18 N -0.87 4.93 0.17 7.83 2.15 -1.26 -4.95 116.67 124.66 1wgp s ASP 18 Ca 0.50 -0.33 -0.29 0.00 0.43 0.00 0.00 52.55 52.86 1wgp s ASP 18 Cb -0.45 -1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 41.04 1wgp s ASP 18 CO 0.57 0.09 1.54 -0.33 -0.17 0.00 0.00 175.17 176.88 1wgp h GLU 19 N 2.71 -0.06 -0.95 4.34 5.08 -1.99 1.50 114.58 125.21 1wgp h GLU 19 Ca -0.47 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1wgp h GLU 19 Cb 1.20 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1wgp h GLU 19 CO 0.59 -0.04 0.62 0.00 -1.00 0.00 0.00 179.01 179.18 1wgp h ARG 20 N -0.06 0.42 -0.25 2.33 2.47 -1.99 0.57 114.38 117.87 1wgp h ARG 20 Ca 0.18 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.72 1wgp h ARG 20 Cb 0.47 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1wgp h ARG 20 CO -0.89 0.28 -0.49 1.25 0.56 0.00 0.00 179.97 180.68 1wgp h LEU 21 N 0.43 0.73 0.11 3.04 5.85 0.14 0.36 115.31 125.98 1wgp h LEU 21 Ca 0.51 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1wgp h LEU 21 Cb 1.25 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1wgp h LEU 21 CO -0.22 1.09 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.84 1wgp h LEU 22 N 0.53 -0.17 -0.17 2.25 -0.00 0.50 0.13 115.31 118.38 1wgp h LEU 22 Ca 0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1wgp h LEU 22 Cb 1.04 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1wgp h LEU 22 CO 0.10 -0.11 0.06 -0.78 -0.00 0.00 0.00 178.44 177.71 1wgp h ASP 23 N -0.18 0.24 -0.45 -0.43 3.58 -1.11 0.16 116.42 118.24 1wgp h ASP 23 Ca -0.01 -0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.36 1wgp h ASP 23 Cb 0.15 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.04 1wgp h ASP 23 CO 0.01 0.34 -0.22 0.00 -2.88 0.00 0.00 179.24 176.50 1wgp h ALA 24 N 0.90 0.10 0.00 -0.78 0.00 -0.67 1.57 119.26 120.38 1wgp h ALA 24 Ca 0.06 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1wgp h ALA 24 Cb 0.18 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wgp h ALA 24 CO -0.00 -0.57 -0.16 0.82 0.00 0.00 0.00 179.25 179.33 1wgp h ILE 25 N -0.13 0.54 0.27 0.00 2.04 -0.53 -2.13 117.51 117.58 1wgp h ILE 25 Ca 0.21 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1wgp h ILE 25 Cb 0.46 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1wgp h ILE 25 CO -0.53 0.16 -0.13 0.00 0.00 0.00 0.00 178.15 177.65 1wgp h GLU 27 N -1.01 0.00 -0.17 0.00 4.11 0.20 0.71 114.58 118.41 1wgp h GLU 27 Ca -0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.29 1wgp h GLU 27 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1wgp h GLU 27 CO 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 179.01 178.81 1wgp h ARG 28 N 0.00 0.35 -6.02 1.06 -0.00 -1.32 -3.44 114.38 105.01 1wgp h ARG 28 Ca 0.27 -0.15 -0.86 0.00 -0.50 0.00 0.00 59.98 58.75 1wgp h ARG 28 Cb 1.32 -0.01 0.01 0.00 0.00 0.00 0.00 29.97 31.29 1wgp h ARG 28 CO -0.00 0.65 0.69 1.28 0.00 0.00 0.00 179.97 182.58 1wgp n LEU 29 N -4.08 1.31 -4.81 3.04 4.77 0.25 -4.91 117.00 112.56 1wgp n LEU 29 Ca -0.01 1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 56.87 1wgp n LEU 29 Cb 0.44 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 1wgp n LEU 29 CO 0.42 -0.84 -0.21 -0.54 -1.33 0.00 0.00 177.39 174.89 1wgp s LYS 30 N 2.92 2.98 -0.45 3.23 1.02 -1.17 -4.94 119.74 123.32 1wgp s LYS 30 Ca 1.03 -0.77 -0.28 0.00 0.02 0.00 0.00 55.97 55.97 1wgp s LYS 30 Cb -1.43 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.17 1wgp s LYS 30 CO 0.79 0.52 1.43 -1.25 -0.92 0.00 0.00 175.35 175.91 1wgp s PRO 31 N -2.90 3.48 0.03 -1.68 0.04 -1.26 -3.44 135.00 129.28 1wgp s PRO 31 Ca 0.31 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 1wgp s PRO 31 Cb -0.11 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.39 1wgp s PRO 31 CO 0.24 -1.69 0.34 0.00 0.04 0.00 0.00 177.00 175.92 1wgp s LEU 33 N -1.92 2.00 -0.12 0.00 0.20 -1.26 -4.47 118.68 113.11 1wgp s LEU 33 Ca -0.06 -0.58 -0.01 0.00 0.69 0.00 0.00 54.13 54.17 1wgp s LEU 33 Cb -0.01 0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 46.14 1wgp s LEU 33 CO -0.02 -0.47 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.12 1wgp s PHE 34 N -2.47 2.88 0.00 5.38 0.08 -1.26 -5.10 117.98 117.49 1wgp s PHE 34 Ca -0.06 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1wgp s PHE 34 Cb -0.02 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1wgp s PHE 34 CO -0.04 -0.04 0.00 0.25 -0.10 0.00 0.00 175.22 175.29 1wgp n THR 35 N 3.20 0.00 -1.98 0.64 -2.24 -1.26 -3.58 114.28 109.07 1wgp n THR 35 Ca -0.18 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1wgp n THR 35 Cb 0.53 -0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.32 4.25 -0.71 -0.78 -1.05 -1.26 -2.47 118.70 115.36 1wgp s GLU 36 Ca 0.00 2.37 -0.02 0.00 -0.15 0.00 0.00 54.97 57.17 1wgp s GLU 36 Cb 0.00 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1wgp s GLU 36 CO 0.00 -0.34 0.27 1.63 0.95 0.00 0.00 175.26 177.76 1wgp n LYS 37 N 0.76 -2.18 -3.65 -4.83 5.02 -1.15 -5.00 118.16 107.12 1wgp n LYS 37 Ca 0.01 0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 56.33 1wgp n LYS 37 Cb 0.41 -4.25 -0.12 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 -2.86 5.55 -0.45 4.39 0.01 -1.03 -4.93 113.70 114.38 1wgp s SER 38 Ca 0.13 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 56.67 1wgp s SER 38 Cb -0.06 -2.00 0.05 0.00 0.21 0.00 0.00 66.02 64.22 1wgp s SER 38 CO 0.16 -0.21 0.39 -0.31 0.41 0.00 0.00 173.24 173.69 1wgp s TYR 39 N 1.61 3.22 0.00 2.43 1.51 -1.26 -0.36 117.35 124.50 1wgp s TYR 39 Ca 0.04 -0.76 -0.20 0.00 -1.01 0.00 0.00 57.07 55.14 1wgp s TYR 39 Cb -0.17 -3.01 -0.11 0.00 -0.11 0.00 0.00 41.96 38.56 1wgp s TYR 39 CO 0.06 -0.75 0.94 -0.07 -1.11 0.00 0.00 175.55 174.62 1wgp h LEU 40 N 8.81 -0.60 -8.33 -1.29 4.07 -1.92 -3.46 115.31 112.59 1wgp h LEU 40 Ca -0.28 0.02 -0.33 0.00 0.08 0.00 0.00 57.88 57.38 1wgp h LEU 40 Cb 1.11 0.15 -0.20 0.00 1.08 0.00 0.00 40.66 42.81 1wgp h LEU 40 CO 0.84 -0.29 -0.75 0.68 -1.08 0.00 0.00 178.44 177.84 1wgp s VAL 41 N -3.99 0.83 0.30 1.22 -7.23 -1.26 -5.00 120.40 105.27 1wgp s VAL 41 Ca -0.10 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1wgp s VAL 41 Cb 0.01 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 1wgp s VAL 41 CO 0.31 -0.40 0.10 -0.60 -0.31 0.00 0.00 175.10 174.20 1wgp s ARG 42 N -2.03 1.56 -0.54 4.82 3.52 -1.23 -1.43 118.95 123.62 1wgp s ARG 42 Ca -0.03 -1.87 -0.19 0.00 -0.13 0.00 0.00 55.73 53.51 1wgp s ARG 42 Cb -0.08 -0.46 0.08 0.00 -1.56 0.00 0.00 34.95 32.94 1wgp s ARG 42 CO 0.01 -0.30 0.64 -2.00 -0.81 0.00 0.00 175.30 172.84 1wgp s GLU 43 N -3.93 3.08 0.00 5.12 -6.30 -1.26 -3.80 118.70 111.62 1wgp s GLU 43 Ca 0.36 -1.08 0.00 0.00 -2.50 0.00 0.00 54.97 51.74 1wgp s GLU 43 Cb 0.07 -4.17 0.00 0.00 0.00 0.00 0.00 34.13 30.04 1wgp s GLU 43 CO 0.15 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.50 1wgp n GLY 44 N 5.22 2.10 3.80 -1.50 0.00 -1.23 -5.04 105.19 108.54 1wgp n GLY 44 Ca -0.08 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.38 6.74 0.97 1.61 -4.77 -1.26 -4.91 116.67 114.68 1wgp s ASP 45 Ca 0.00 1.84 -0.14 0.00 -3.30 0.00 0.00 52.55 50.95 1wgp s ASP 45 Cb 0.00 -2.56 0.18 0.00 -1.09 0.00 0.00 42.92 39.45 1wgp s ASP 45 CO 0.00 -0.50 1.17 -2.16 0.70 0.00 0.00 175.17 174.38 1wgp s PRO 46 N -2.98 0.61 -0.23 2.11 0.04 -1.26 -3.17 135.00 130.12 1wgp s PRO 46 Ca 0.62 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1wgp s PRO 46 Cb -0.15 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1wgp s PRO 46 CO 0.19 -2.52 -0.11 0.08 0.04 0.00 0.00 177.00 174.68 1wgp s VAL 47 N -3.35 2.47 -0.11 -0.36 1.01 0.46 -4.79 120.40 115.73 1wgp s VAL 47 Ca 0.67 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1wgp s VAL 47 Cb -0.12 -2.24 -0.26 0.00 0.00 0.00 0.00 36.38 33.76 1wgp s VAL 47 CO 0.54 0.25 0.41 -1.13 0.00 0.00 0.00 175.10 175.17 1wgp h ASN 48 N 7.93 0.42 -5.03 3.32 -0.73 -1.95 -3.38 115.58 116.16 1wgp h ASN 48 Ca -0.34 -0.91 -0.14 0.00 1.87 0.00 0.00 56.30 56.78 1wgp h ASN 48 Cb 1.10 -0.14 -0.19 0.00 0.27 0.00 0.00 38.32 39.36 1wgp h ASN 48 CO 0.57 1.81 -0.56 -1.83 -0.37 0.00 0.00 177.43 177.05 1wgp s GLU 49 N -2.54 0.49 0.07 6.67 1.03 -1.26 -2.61 118.70 120.55 1wgp s GLU 49 Ca -0.22 -0.60 -0.05 0.00 0.03 0.00 0.00 54.97 54.13 1wgp s GLU 49 Cb 0.06 0.19 -0.05 0.00 -0.80 0.00 0.00 34.13 33.53 1wgp s GLU 49 CO 0.77 -0.11 0.31 1.41 -1.33 0.00 0.00 175.26 176.31 1wgp s MET 50 N -1.93 3.59 -0.21 -4.83 1.75 0.58 -4.83 119.30 113.42 1wgp s MET 50 Ca -0.11 -0.12 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 1wgp s MET 50 Cb -0.05 -2.98 0.02 0.00 2.84 0.00 0.00 34.83 34.66 1wgp s MET 50 CO -0.02 0.57 -0.14 -0.51 -0.65 0.00 0.00 175.02 174.27 1wgp s LEU 51 N -2.23 2.58 -0.53 4.11 2.01 -1.26 0.70 118.68 124.06 1wgp s LEU 51 Ca 0.34 -0.75 -0.18 0.00 0.01 0.00 0.00 54.13 53.55 1wgp s LEU 51 Cb -0.13 -1.55 0.08 0.00 0.01 0.00 0.00 46.19 44.60 1wgp s LEU 51 CO 0.21 -0.05 0.59 -0.36 1.01 0.00 0.00 176.35 177.76 1wgp s PHE 52 N 1.30 3.09 -0.10 0.29 0.08 -1.10 -3.60 117.98 117.92 1wgp s PHE 52 Ca 0.02 -0.83 -0.33 0.00 0.12 0.00 0.00 56.93 55.91 1wgp s PHE 52 Cb -0.15 -3.66 -0.10 0.00 -0.57 0.00 0.00 43.02 38.54 1wgp s PHE 52 CO -0.09 -1.07 1.97 -0.89 -0.10 0.00 0.00 175.22 175.03 1wgp n ILE 53 N 5.48 0.56 -0.12 0.64 2.08 -1.26 -3.62 119.36 123.12 1wgp n ILE 53 Ca -0.09 -0.17 -0.23 0.00 0.56 0.00 0.00 62.75 62.82 1wgp n ILE 53 Cb 0.43 -2.02 -0.08 0.00 -0.75 0.00 0.00 39.64 37.22 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 5.72 1.52 -3.12 1.39 2.08 -1.17 -4.42 119.36 121.35 1wgp n ILE 54 Ca 0.25 -0.18 0.03 0.00 0.56 0.00 0.00 62.75 63.41 1wgp n ILE 54 Cb 0.33 -2.03 -0.00 0.00 -0.75 0.00 0.00 39.64 37.18 1wgp n ILE 54 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1wgp s ARG 55 N -2.54 0.47 0.00 0.38 3.52 -0.85 -4.85 118.95 115.08 1wgp s ARG 55 Ca -0.34 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1wgp s ARG 55 Cb 0.10 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1wgp s ARG 55 CO 0.48 -0.80 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 1wgp n GLY 56 N 4.93 1.73 3.15 8.12 0.00 -1.26 -3.40 105.19 118.46 1wgp n GLY 56 Ca 0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 1.04 0.68 0.25 1.61 1.81 -1.26 -4.58 118.95 118.50 1wgp s ARG 57 Ca 0.00 -0.83 -0.22 0.00 -1.72 0.00 0.00 55.73 52.97 1wgp s ARG 57 Cb 0.00 0.27 0.04 0.00 -0.45 0.00 0.00 34.95 34.81 1wgp s ARG 57 CO 0.00 -0.19 0.82 -0.51 -0.68 0.00 0.00 175.30 174.75 1wgp s LEU 58 N -2.38 -0.18 -0.08 2.53 1.02 -1.26 -4.48 118.68 113.85 1wgp s LEU 58 Ca -0.01 -0.62 0.01 0.00 0.02 0.00 0.00 54.13 53.53 1wgp s LEU 58 Cb 0.01 2.53 0.02 0.00 0.02 0.00 0.00 46.19 48.77 1wgp s LEU 58 CO -0.07 -1.24 -0.11 -1.83 0.02 0.00 0.00 176.35 173.13 1wgp s GLU 59 N -3.40 1.66 -0.13 1.70 -1.05 -1.10 -2.71 118.70 113.68 1wgp s GLU 59 Ca 0.13 -0.37 -0.06 0.00 -0.15 0.00 0.00 54.97 54.51 1wgp s GLU 59 Cb -0.04 -1.47 -0.04 0.00 -0.44 0.00 0.00 34.13 32.13 1wgp s GLU 59 CO 0.06 -0.06 0.11 0.45 0.95 0.00 0.00 175.26 176.77 1wgp s SER 60 N 0.98 6.12 0.04 0.83 0.15 0.09 -2.41 113.70 119.51 1wgp s SER 60 Ca -0.08 0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1wgp s SER 60 Cb -0.15 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1wgp s SER 60 CO -0.00 0.37 -0.05 -0.69 1.20 0.00 0.00 173.24 174.06 1wgp s VAL 61 N -0.77 0.34 0.14 4.45 1.01 -1.00 -0.55 120.40 124.01 1wgp s VAL 61 Ca 0.13 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 61.04 1wgp s VAL 61 Cb -0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1wgp s VAL 61 CO 0.03 -0.55 -0.23 0.28 0.00 0.00 0.00 175.10 174.63 1wgp s THR 62 N -1.91 2.04 0.02 3.92 -1.32 -1.23 -2.74 115.64 114.41 1wgp s THR 62 Ca -0.09 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.62 1wgp s THR 62 Cb -0.07 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.06 1wgp s THR 62 CO -0.02 -0.07 0.00 0.35 -2.21 0.00 0.00 174.62 172.67 1wgp n THR 63 N 0.72 0.12 -0.78 5.08 -2.24 -1.26 -4.20 114.28 111.72 1wgp n THR 63 Ca -0.16 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1wgp n THR 63 Cb 0.54 -1.26 0.13 0.00 -2.10 0.00 0.00 70.33 67.64 1wgp n THR 63 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wgp n ASP 64 N -2.96 -2.34 -3.84 3.42 2.03 -1.26 -4.97 116.55 106.64 1wgp n ASP 64 Ca 0.00 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1wgp n ASP 64 Cb 0.33 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 1wgp n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wgp n GLY 65 N 1.72 -3.20 0.56 0.27 0.00 -1.26 -4.81 105.19 98.47 1wgp n GLY 65 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 1.06 0.00 -0.02 0.00 -1.26 -4.85 105.19 100.12 1wgp n GLY 66 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.31 0.00 -2.33 1.61 0.63 -1.26 -5.11 116.66 109.89 1wgp n ARG 67 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1wgp n ARG 67 Cb 0.18 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.05 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 0.00 -0.80 0.00 6.15 7.64 -1.26 -5.05 113.62 120.30 1wgp n SER 68 Ca 0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1wgp n SER 68 Cb 0.00 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 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 1.28 -0.36 1.13 0.23 0.00 -1.26 -5.14 105.19 101.07 1wgp n GLY 69 Ca -0.32 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1wgp n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgp n PHE 70 N 0.00 -2.54 -2.30 1.61 3.01 -1.26 -4.70 117.46 111.28 1wgp n PHE 70 Ca 0.00 1.32 -0.41 0.00 1.01 0.00 0.00 57.45 59.38 1wgp n PHE 70 Cb 0.00 -2.31 -0.03 0.00 -0.01 0.00 0.00 39.48 37.13 1wgp n PHE 70 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1wgp s TYR 71 N -3.04 3.34 -0.69 1.38 1.51 -1.26 -4.97 117.35 113.62 1wgp s TYR 71 Ca 0.00 1.46 -0.18 0.00 -1.01 0.00 0.00 57.07 57.34 1wgp s TYR 71 Cb 0.00 -3.49 0.12 0.00 -0.11 0.00 0.00 41.96 38.49 1wgp s TYR 71 CO 0.00 -1.32 0.79 1.21 -1.11 0.00 0.00 175.55 175.12 1wgp s ASN 72 N -0.30 6.34 0.32 2.29 2.47 -1.26 -4.99 114.94 119.81 1wgp s ASN 72 Ca 0.50 -1.72 -0.20 0.00 0.42 0.00 0.00 52.86 51.87 1wgp s ASN 72 Cb -0.35 -2.31 -0.09 0.00 -1.45 0.00 0.00 41.25 37.05 1wgp s ASN 72 CO 0.43 -1.03 0.82 -0.60 -3.72 0.00 0.00 177.10 172.99 1wgp s ARG 73 N 2.34 4.23 0.28 0.43 3.52 -1.26 -3.47 118.95 125.02 1wgp s ARG 73 Ca 0.16 0.94 -0.15 0.00 -0.13 0.00 0.00 55.73 56.55 1wgp s ARG 73 Cb -0.19 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1wgp s ARG 73 CO 0.01 0.20 0.60 -1.12 -0.81 0.00 0.00 175.30 174.18 1wgp s SER 74 N -1.96 -0.06 0.10 -2.12 0.01 0.29 -5.01 113.70 104.95 1wgp s SER 74 Ca 0.52 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1wgp s SER 74 Cb -0.13 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 1wgp s SER 74 CO 0.19 -1.28 -0.12 -0.22 0.41 0.00 0.00 173.24 172.21 1wgp s LEU 75 N -3.01 2.39 0.26 2.44 2.96 -1.26 -0.74 118.68 121.73 1wgp s LEU 75 Ca 0.18 -0.78 0.11 0.00 -0.22 0.00 0.00 54.13 53.42 1wgp s LEU 75 Cb -0.03 -0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 1wgp s LEU 75 CO 0.09 -0.20 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.99 1wgp s LEU 76 N -2.35 2.69 0.00 -0.68 1.43 -1.10 -4.88 118.68 113.80 1wgp s LEU 76 Ca 0.05 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1wgp s LEU 76 Cb -0.04 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1wgp s LEU 76 CO 0.01 0.05 0.00 2.29 0.23 0.00 0.00 176.35 178.93 1wgp n LYS 77 N -0.53 1.08 -2.16 1.70 2.85 -1.26 -4.16 118.16 115.68 1wgp n LYS 77 Ca -0.06 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.77 1wgp n LYS 77 Cb 0.59 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.95 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 -1.50 4.22 0.00 -1.58 2.12 -1.26 -2.70 118.70 117.99 1wgp s GLU 78 Ca 0.00 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1wgp s GLU 78 Cb 0.00 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1wgp s GLU 78 CO 0.00 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 1wgp n GLY 79 N 3.87 0.75 3.76 -1.50 0.00 -1.26 -5.10 105.19 105.71 1wgp n GLY 79 Ca 0.15 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.75 7.40 0.17 1.61 -1.08 -1.10 -5.01 116.67 117.91 1wgp s ASP 80 Ca 0.00 2.11 0.11 0.00 -0.52 0.00 0.00 52.55 54.25 1wgp s ASP 80 Cb 0.00 -2.62 -0.04 0.00 -1.46 0.00 0.00 42.92 38.80 1wgp s ASP 80 CO 0.00 -0.04 -0.23 0.72 0.52 0.00 0.00 175.17 176.15 1wgp s PHE 81 N -1.22 2.35 0.28 -5.34 -0.12 -1.26 -4.19 117.98 108.48 1wgp s PHE 81 Ca 0.44 -0.34 0.08 0.00 -0.05 0.00 0.00 56.93 57.06 1wgp s PHE 81 Cb -0.28 -1.19 -0.04 0.00 -0.63 0.00 0.00 43.02 40.88 1wgp s PHE 81 CO 0.36 0.46 0.10 0.00 -0.05 0.00 0.00 175.22 176.09 1wgp n GLY 83 N -1.06 -0.72 0.12 0.00 0.00 -1.26 -4.27 105.19 97.99 1wgp n GLY 83 Ca -0.06 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.98 0.27 -1.53 1.61 3.04 -1.96 -3.17 116.42 112.69 1wgp h ASP 84 Ca -0.63 -0.23 0.44 0.00 -3.24 0.00 0.00 57.03 53.37 1wgp h ASP 84 Cb 1.24 -0.08 -0.06 0.00 -1.04 0.00 0.00 39.33 39.38 1wgp h ASP 84 CO 0.46 1.06 1.19 -0.33 -2.04 0.00 0.00 179.24 179.58 1wgp h GLU 85 N 0.10 0.00 0.24 4.15 4.39 -1.93 0.85 114.58 122.37 1wgp h GLU 85 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1wgp h GLU 85 Cb 1.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1wgp h GLU 85 CO 0.14 0.00 -0.14 1.25 -1.16 0.00 0.00 179.01 179.10 1wgp h LEU 86 N 0.00 -0.35 -0.41 1.33 5.85 -1.92 0.61 115.31 120.42 1wgp h LEU 86 Ca 0.73 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.52 1wgp h LEU 86 Cb 3.10 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 44.16 1wgp h LEU 86 CO -0.01 -0.23 -0.53 0.25 -0.34 0.00 0.00 178.44 177.57 1wgp h LEU 87 N -0.37 -1.79 -0.41 2.25 5.85 0.51 0.25 115.31 121.61 1wgp h LEU 87 Ca -0.02 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1wgp h LEU 87 Cb 0.30 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1wgp h LEU 87 CO 0.03 -0.38 0.20 0.74 -0.34 0.00 0.00 178.44 178.69 1wgp h THR 88 N -0.37 0.98 -0.52 1.05 2.02 -1.48 0.95 112.91 115.54 1wgp h THR 88 Ca 0.07 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1wgp h THR 88 Cb 0.56 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.41 1wgp h THR 88 CO -0.58 0.08 -0.53 -0.25 0.37 0.00 0.00 175.52 174.60 1wgp h TRP 89 N 0.41 -1.63 -0.84 3.16 7.01 0.20 1.60 115.95 125.86 1wgp h TRP 89 Ca 0.17 0.09 0.04 0.00 2.11 0.00 0.00 58.89 61.31 1wgp h TRP 89 Cb 0.08 0.78 -0.05 0.00 -2.10 0.00 0.00 29.16 27.87 1wgp h TRP 89 CO -0.10 -0.46 0.53 0.00 -2.79 0.00 0.00 178.44 175.62 1wgp h ALA 90 N 0.18 1.13 0.00 2.65 0.00 -0.18 0.47 119.26 123.51 1wgp h ALA 90 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wgp h ALA 90 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wgp h ALA 90 CO -0.66 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.20 1wgp n LEU 91 N -4.59 0.06 -4.18 0.00 4.32 0.15 -4.26 117.00 108.49 1wgp n LEU 91 Ca 0.11 0.52 -0.36 0.00 -0.02 0.00 0.00 56.01 56.26 1wgp n LEU 91 Cb 0.12 -0.51 -0.13 0.00 -1.62 0.00 0.00 43.42 41.28 1wgp n LEU 91 CO 0.33 -0.35 -0.29 -0.62 -1.22 0.00 0.00 177.39 175.23 1wgp s ASP 92 N -3.11 5.06 0.23 -1.43 2.15 0.50 -4.95 116.67 115.12 1wgp s ASP 92 Ca 0.05 -1.42 0.10 0.00 0.43 0.00 0.00 52.55 51.71 1wgp s ASP 92 Cb 0.07 -1.77 0.19 0.00 -0.30 0.00 0.00 42.92 41.11 1wgp s ASP 92 CO 0.21 -0.34 1.51 1.55 -0.17 0.00 0.00 175.17 177.93 1wgp h PRO 93 N 8.05 0.00 -0.83 4.34 0.13 -1.74 -3.10 132.00 138.85 1wgp h PRO 93 Ca -0.20 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.97 1wgp h PRO 93 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1wgp h PRO 93 CO 0.58 0.72 0.55 0.87 -0.23 0.00 0.00 178.00 180.49 1wgp h LYS 94 N 0.00 0.98 -3.33 0.86 1.79 -1.92 -3.18 116.57 111.77 1wgp h LYS 94 Ca -0.01 -0.06 -0.74 0.00 -2.18 0.00 0.00 60.65 57.66 1wgp h LYS 94 Cb 1.31 -0.22 -0.32 0.00 -1.58 0.00 0.00 32.23 31.41 1wgp h LYS 94 CO 0.09 0.65 0.16 0.45 -1.08 0.00 0.00 179.45 179.73 1wgp n SER 95 N -4.45 4.85 -0.09 0.86 2.88 -1.17 -4.80 113.62 111.70 1wgp n SER 95 Ca 0.11 -3.13 -0.09 0.00 -1.33 0.00 0.00 58.87 54.43 1wgp n SER 95 Cb 0.13 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 62.38 1wgp n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 96 N 2.30 -0.66 3.75 0.46 0.00 -1.20 -4.74 105.19 105.09 1wgp n GLY 96 Ca 0.23 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1wgp n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgp s SER 97 N -5.96 5.10 0.02 1.61 0.15 -1.26 -4.60 113.70 108.76 1wgp s SER 97 Ca -0.25 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.74 1wgp s SER 97 Cb 0.04 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wgp s SER 97 CO 0.37 -1.65 0.00 0.59 1.20 0.00 0.00 173.24 173.75 1wgp n ASN 98 N -1.76 -6.86 -4.72 5.45 3.02 -1.26 -4.95 115.26 104.18 1wgp n ASN 98 Ca 0.13 1.18 -0.32 0.00 -0.03 0.00 0.00 54.58 55.54 1wgp n ASN 98 Cb 0.50 -3.71 0.12 0.00 -0.61 0.00 0.00 39.78 36.08 1wgp n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wgp s LEU 99 N -0.38 3.08 0.71 3.41 1.43 -1.26 -5.00 118.68 120.66 1wgp s LEU 99 Ca 0.00 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 1wgp s LEU 99 Cb 0.00 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1wgp s LEU 99 CO 0.00 -2.47 1.06 -2.16 0.23 0.00 0.00 176.35 173.02 1wgp s PRO 100 N -4.45 2.84 -0.14 1.29 0.04 -1.26 -4.64 135.00 128.68 1wgp s PRO 100 Ca 0.67 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1wgp s PRO 100 Cb -0.23 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1wgp s PRO 100 CO 0.52 -1.16 -0.18 -1.54 0.04 0.00 0.00 177.00 174.68 1wgp s SER 101 N -3.81 3.51 0.44 6.66 1.04 -1.26 0.17 113.70 120.45 1wgp s SER 101 Ca 0.58 -0.49 -0.25 0.00 0.48 0.00 0.00 55.95 56.28 1wgp s SER 101 Cb -0.14 -1.52 -0.08 0.00 0.10 0.00 0.00 66.02 64.38 1wgp s SER 101 CO 0.55 0.12 1.28 -0.55 0.98 0.00 0.00 173.24 175.61 1wgp s SER 102 N 0.62 6.13 -0.30 7.02 0.15 -1.19 -4.91 113.70 121.23 1wgp s SER 102 Ca -0.10 2.59 0.11 0.00 0.70 0.00 0.00 55.95 59.25 1wgp s SER 102 Cb -0.16 -2.63 0.75 0.00 -1.71 0.00 0.00 66.02 62.27 1wgp s SER 102 CO 0.03 -0.96 1.78 0.35 1.20 0.00 0.00 173.24 175.63 1wgp n THR 103 N -0.17 2.88 -3.53 6.45 -2.24 -1.26 -3.58 114.28 112.83 1wgp n THR 103 Ca 0.05 -1.63 -0.15 0.00 -2.27 0.00 0.00 64.05 60.05 1wgp n THR 103 Cb 0.45 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.95 0.94 0.18 -0.78 1.70 -1.26 -4.96 118.95 111.82 1wgp s ARG 104 Ca 0.54 0.14 0.06 0.00 -0.47 0.00 0.00 55.73 56.01 1wgp s ARG 104 Cb 0.43 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 35.22 1wgp s ARG 104 CO 0.14 -0.31 0.12 0.99 -1.08 0.00 0.00 175.30 175.16 1wgp s THR 105 N -1.47 4.34 -0.12 4.99 2.01 -1.11 -3.56 115.64 120.72 1wgp s THR 105 Ca -0.07 -1.21 -0.25 0.00 0.31 0.00 0.00 61.69 60.48 1wgp s THR 105 Cb -0.00 -3.24 0.06 0.00 0.01 0.00 0.00 72.50 69.33 1wgp s THR 105 CO 0.05 -0.16 0.60 -0.69 -0.69 0.00 0.00 174.62 173.73 1wgp s VAL 106 N -1.83 0.01 0.02 3.82 1.01 -0.52 -2.37 120.40 120.55 1wgp s VAL 106 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1wgp s VAL 106 Cb -0.09 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1wgp s VAL 106 CO 0.23 -0.04 -0.04 -0.75 0.00 0.00 0.00 175.10 174.50 1wgp s LYS 107 N -0.57 0.35 -0.36 2.72 2.36 -1.01 -2.97 119.74 120.26 1wgp s LYS 107 Ca -0.07 -0.65 -0.22 0.00 -2.55 0.00 0.00 55.97 52.48 1wgp s LYS 107 Cb -0.03 0.07 0.01 0.00 -1.05 0.00 0.00 37.83 36.83 1wgp s LYS 107 CO 0.05 -0.04 0.73 0.00 1.55 0.00 0.00 175.35 177.64 1wgp s ALA 108 N -1.57 3.44 -0.11 3.13 0.00 0.52 -2.70 121.76 124.47 1wgp s ALA 108 Ca -0.14 -0.72 0.20 0.00 0.00 0.00 0.00 51.96 51.30 1wgp s ALA 108 Cb -0.09 -3.29 -0.28 0.00 0.00 0.00 0.00 23.12 19.46 1wgp s ALA 108 CO -0.01 -1.42 0.35 1.28 0.00 0.00 0.00 175.76 175.96 1wgp n LEU 109 N 6.28 0.10 -4.21 0.00 4.32 -1.26 -2.91 117.00 119.31 1wgp n LEU 109 Ca 0.02 0.04 -0.12 0.00 -0.02 0.00 0.00 56.01 55.93 1wgp n LEU 109 Cb 0.48 0.21 -0.10 0.00 -1.62 0.00 0.00 43.42 42.40 1wgp n LEU 109 CO 0.52 0.22 -0.32 0.28 -1.22 0.00 0.00 177.39 176.86 1wgp s THR 110 N -3.03 0.49 -0.35 -5.08 -1.32 -1.26 -4.93 115.64 100.16 1wgp s THR 110 Ca -0.08 -1.95 -0.41 0.00 -1.21 0.00 0.00 61.69 58.04 1wgp s THR 110 Cb 0.10 -2.08 -0.16 0.00 -1.51 0.00 0.00 72.50 68.85 1wgp s THR 110 CO 0.87 -0.49 1.83 1.21 -2.21 0.00 0.00 174.62 175.83 1wgp n GLU 111 N -0.19 0.86 -4.31 7.08 2.13 -1.26 -4.74 120.64 120.21 1wgp n GLU 111 Ca -0.06 0.30 -0.32 0.00 0.66 0.00 0.00 57.16 57.74 1wgp n GLU 111 Cb 0.63 -2.01 -0.09 0.00 0.27 0.00 0.00 31.44 30.24 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 4.27 3.91 -0.23 6.31 1.01 -1.23 -4.46 120.40 129.99 1wgp s VAL 112 Ca 1.03 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1wgp s VAL 112 Cb -1.15 -2.76 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1wgp s VAL 112 CO 0.66 0.32 0.04 -1.61 0.00 0.00 0.00 175.10 174.52 1wgp s GLU 113 N -1.67 0.76 0.33 2.72 2.02 -1.22 -4.07 118.70 117.57 1wgp s GLU 113 Ca 0.20 -0.62 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 1wgp s GLU 113 Cb -0.11 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.05 1wgp s GLU 113 CO 0.11 -0.72 0.77 0.00 0.02 0.00 0.00 175.26 175.44 1wgp s ALA 114 N 1.77 -0.99 0.42 5.21 0.00 -1.26 -2.00 121.76 124.90 1wgp s ALA 114 Ca 0.01 -0.54 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1wgp s ALA 114 Cb -0.17 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1wgp s ALA 114 CO -0.12 -1.01 0.35 -0.06 0.00 0.00 0.00 175.76 174.91 1wgp s PHE 115 N -2.98 2.67 0.16 0.00 0.08 -1.24 -4.46 117.98 112.21 1wgp s PHE 115 Ca 0.14 -0.51 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1wgp s PHE 115 Cb -0.05 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1wgp s PHE 115 CO 0.09 -0.08 -0.11 0.00 -0.10 0.00 0.00 175.22 175.02 1wgp s ALA 116 N -2.50 2.90 -0.05 5.36 0.00 -1.22 -2.72 121.76 123.53 1wgp s ALA 116 Ca 0.47 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1wgp s ALA 116 Cb -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.39 1wgp s ALA 116 CO 0.27 0.51 0.04 -1.17 0.00 0.00 0.00 175.76 175.41 1wgp s LEU 117 N -2.63 0.29 0.20 0.00 1.98 0.22 -3.07 118.68 115.67 1wgp s LEU 117 Ca 0.23 0.01 -0.24 0.00 -2.89 0.00 0.00 54.13 51.24 1wgp s LEU 117 Cb -0.09 -0.24 -0.08 0.00 0.66 0.00 0.00 46.19 46.44 1wgp s LEU 117 CO 0.14 -0.24 0.80 -0.51 -1.89 0.00 0.00 176.35 174.65 1wgp s ILE 118 N 2.11 4.37 0.13 6.68 2.07 -1.26 0.21 121.20 135.52 1wgp s ILE 118 Ca 0.05 1.65 -0.17 0.00 -1.41 0.00 0.00 60.65 60.77 1wgp s ILE 118 Cb -0.12 -4.07 -0.02 0.00 0.13 0.00 0.00 42.46 38.38 1wgp s ILE 118 CO -0.04 0.41 1.73 0.00 -1.91 0.00 0.00 174.94 175.12 1wgp h ALA 119 N 3.97 0.46 -0.01 1.50 0.00 -1.86 -1.24 119.26 122.08 1wgp h ALA 119 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wgp h ALA 119 Cb 1.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wgp h ALA 119 CO 0.66 0.00 -0.01 0.22 0.00 0.00 0.00 179.25 180.11 1wgp h ASP 120 N 0.45 -0.05 -1.00 0.00 3.58 -1.93 1.51 116.42 118.98 1wgp h ASP 120 Ca 0.12 0.01 0.23 0.00 0.42 0.00 0.00 57.03 57.81 1wgp h ASP 120 Cb 0.08 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.05 1wgp h ASP 120 CO -0.02 -0.01 0.62 -0.33 -2.88 0.00 0.00 179.24 176.62 1wgp h GLU 121 N -0.01 0.57 0.08 0.28 4.39 -1.97 0.39 114.58 118.31 1wgp h GLU 121 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wgp h GLU 121 Cb 0.01 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1wgp h GLU 121 CO -0.02 0.38 -0.04 1.25 -1.16 0.00 0.00 179.01 179.42 1wgp h LEU 122 N 0.59 -0.09 -0.81 1.33 6.46 0.53 0.22 115.31 123.54 1wgp h LEU 122 Ca 0.59 0.00 0.19 0.00 -0.12 0.00 0.00 57.88 58.55 1wgp h LEU 122 Cb 1.17 0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 40.98 1wgp h LEU 122 CO -0.37 -0.06 0.03 0.50 -0.62 0.00 0.00 178.44 177.92 1wgp h LYS 123 N -0.11 0.10 0.10 1.25 3.64 0.25 1.49 116.57 123.29 1wgp h LYS 123 Ca -0.01 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1wgp h LYS 123 Cb 0.08 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1wgp h LYS 123 CO 0.02 0.07 -0.49 0.35 -2.27 0.00 0.00 179.45 177.13 1wgp h PHE 124 N 0.10 -1.41 0.00 1.91 3.04 -0.16 1.33 116.94 121.76 1wgp h PHE 124 Ca 0.45 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.41 1wgp h PHE 124 Cb 0.83 0.60 -0.00 0.00 2.56 0.00 0.00 35.95 39.94 1wgp h PHE 124 CO -0.42 -0.54 -0.16 -0.24 -2.02 0.00 0.00 178.31 174.93 1wgp h VAL 125 N -0.68 0.71 -0.21 1.41 3.04 0.74 1.57 116.25 122.82 1wgp h VAL 125 Ca -0.00 -0.64 -0.07 0.00 -1.01 0.00 0.00 66.70 64.97 1wgp h VAL 125 Cb 0.69 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1wgp h VAL 125 CO -0.27 0.15 -0.14 0.00 -1.01 0.00 0.00 177.57 176.30 1wgp h ALA 126 N 1.84 0.31 0.00 3.17 0.00 0.40 -2.71 119.26 122.27 1wgp h ALA 126 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1wgp h ALA 126 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wgp h ALA 126 CO 0.02 0.19 -0.24 0.77 0.00 0.00 0.00 179.25 179.99 1wgp h SER 127 N 0.17 0.00 -0.86 0.00 0.02 0.23 -2.98 113.55 110.13 1wgp h SER 127 Ca 0.04 -0.47 0.12 0.00 -0.84 0.00 0.00 61.79 60.64 1wgp h SER 127 Cb 0.66 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.07 1wgp h SER 127 CO 0.04 0.87 -0.39 0.00 -1.14 0.00 0.00 176.83 176.21 1wgp n GLN 128 N -4.64 -0.26 0.29 3.45 1.13 0.53 -0.40 117.38 117.48 1wgp n GLN 128 Ca -0.09 1.32 -0.16 0.00 -1.94 0.00 0.00 57.00 56.12 1wgp n GLN 128 Cb 0.32 -1.95 -0.08 0.00 0.11 0.00 0.00 30.24 28.63 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 -0.66 -1.87 1.08 -1.00 -1.64 -3.44 116.94 109.40 1wgp h PHE 129 Ca 0.25 -0.02 -0.55 0.00 2.81 0.00 0.00 57.97 60.46 1wgp h PHE 129 Cb 0.47 0.22 0.18 0.00 3.61 0.00 0.00 35.95 40.42 1wgp h PHE 129 CO -0.80 -0.37 -1.21 0.54 -1.61 0.00 0.00 178.31 174.86 1wgp n ARG 130 N -5.36 0.00 -1.33 1.51 1.74 0.46 -4.56 116.66 109.12 1wgp n ARG 130 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1wgp n ARG 130 Cb 0.31 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1wgp n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wgp n ARG 131 N 1.59 -3.68 -2.14 5.56 1.74 -1.26 -4.95 116.66 113.52 1wgp n ARG 131 Ca 0.06 2.66 -0.02 0.00 -0.77 0.00 0.00 57.85 59.78 1wgp n ARG 131 Cb 0.46 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1wgp n ARG 131 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wgp n SER 132 N 0.32 -4.99 0.00 0.55 2.88 -1.26 -5.07 113.62 106.04 1wgp n SER 132 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1wgp n SER 132 Cb 0.00 -3.19 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 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 -0.08 2.45 0.12 0.46 0.00 -1.26 -5.06 105.19 101.82 1wgp n GLY 133 Ca 0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1wgp n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgp h PRO 134 N 0.00 -0.18 -1.25 1.61 0.13 -1.99 -3.48 132.00 126.84 1wgp h PRO 134 Ca 0.00 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.30 1wgp h PRO 134 Cb 0.00 0.04 -0.31 0.00 0.13 0.00 0.00 31.00 30.86 1wgp h PRO 134 CO 0.00 0.21 0.66 -1.54 -0.23 0.00 0.00 178.00 177.10 1wgp s SER 135 N -5.52 -0.22 0.36 1.44 1.04 -1.26 -5.14 113.70 104.41 1wgp s SER 135 Ca -0.11 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1wgp s SER 135 Cb -0.00 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1wgp s SER 135 CO 0.39 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 173.35 1wgp n SER 136 N 2.73 -8.40 0.00 7.02 7.64 -1.26 -5.14 113.62 116.20 1wgp n SER 136 Ca -0.15 1.16 0.14 0.00 1.01 0.00 0.00 58.87 61.03 1wgp n SER 136 Cb 0.57 -4.26 0.84 0.00 -1.01 0.00 0.00 64.21 60.34 1wgp n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64