#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgp n SER 2 N 0.00 -5.95 -3.33 1.61 2.88 -1.26 -4.96 113.62 102.61 1wgp n SER 2 Ca 0.00 1.31 -0.20 0.00 -1.33 0.00 0.00 58.87 58.65 1wgp n SER 2 Cb 0.00 -3.31 -0.08 0.00 -0.75 0.00 0.00 64.21 60.07 1wgp n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgp s SER 3 N -4.78 1.26 0.00 -3.46 0.01 -1.26 -5.06 113.70 100.40 1wgp s SER 3 Ca 0.00 -2.02 0.00 0.00 1.31 0.00 0.00 55.95 55.24 1wgp s SER 3 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1wgp s SER 3 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wgp n GLY 4 N 3.77 -0.10 2.94 3.44 0.00 -1.26 -5.10 105.19 108.89 1wgp n GLY 4 Ca 0.16 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 1wgp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgp s SER 5 N 2.00 -1.28 0.54 1.61 0.15 -1.26 -5.15 113.70 110.30 1wgp s SER 5 Ca 0.00 -1.07 -0.15 0.00 0.70 0.00 0.00 55.95 55.42 1wgp s SER 5 Cb 0.00 1.66 -0.07 0.00 -1.71 0.00 0.00 66.02 65.90 1wgp s SER 5 CO 0.00 -0.10 1.00 -0.55 1.20 0.00 0.00 173.24 174.79 1wgp s SER 6 N 1.39 6.53 0.28 5.45 0.15 -1.26 -4.89 113.70 121.35 1wgp s SER 6 Ca 0.22 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1wgp s SER 6 Cb -0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wgp s SER 6 CO -0.07 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1wgp n GLY 7 N -1.84 1.02 3.35 9.45 0.00 -1.26 -4.88 105.19 111.02 1wgp n GLY 7 Ca 0.06 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -7.90 -2.12 1.61 0.31 -1.26 -4.81 118.33 104.16 1wgp n VAL 8 Ca 0.00 -1.05 -0.30 0.00 -0.01 0.00 0.00 64.34 62.98 1wgp n VAL 8 Cb 0.00 -5.86 -0.05 0.00 -0.91 0.00 0.00 33.84 27.02 1wgp n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wgp n ARG 9 N -3.59 1.80 -3.94 5.55 5.12 -1.26 -4.23 116.66 116.10 1wgp n ARG 9 Ca -0.15 -2.57 -0.37 0.00 -1.93 0.00 0.00 57.85 52.84 1wgp n ARG 9 Cb 0.64 -3.70 0.01 0.00 -1.16 0.00 0.00 32.46 28.25 1wgp n ARG 9 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wgp n ARG 10 N 8.27 -0.83 -1.36 5.56 5.12 -1.26 -4.88 116.66 127.27 1wgp n ARG 10 Ca 0.45 0.38 -0.31 0.00 -1.93 0.00 0.00 57.85 56.45 1wgp n ARG 10 Cb 0.46 -2.46 0.08 0.00 -1.16 0.00 0.00 32.46 29.38 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 -3.29 3.34 -0.13 1.55 -7.23 -1.26 -4.94 120.40 108.45 1wgp s VAL 11 Ca 0.28 0.47 0.27 0.00 -1.81 0.00 0.00 61.98 61.18 1wgp s VAL 11 Cb -0.15 -2.97 0.33 0.00 0.56 0.00 0.00 36.38 34.15 1wgp s VAL 11 CO 0.94 -0.53 1.78 1.55 -0.31 0.00 0.00 175.10 178.52 1wgp h PRO 12 N -0.90 0.00 0.28 4.82 0.13 -2.00 -3.30 132.00 131.03 1wgp h PRO 12 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1wgp h PRO 12 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1wgp h PRO 12 CO 0.52 0.06 -0.34 -0.07 -0.23 0.00 0.00 178.00 177.95 1wgp h LEU 13 N 0.00 -0.95 -4.73 1.56 3.38 -2.01 -2.68 115.31 109.88 1wgp h LEU 13 Ca -0.00 0.08 -0.43 0.00 0.09 0.00 0.00 57.88 57.62 1wgp h LEU 13 Cb 0.80 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1wgp h LEU 13 CO 0.01 -0.43 2.09 0.49 0.09 0.00 0.00 178.44 180.69 1wgp n PHE 14 N -4.42 1.33 -0.11 1.13 3.72 -1.24 -4.23 117.46 113.64 1wgp n PHE 14 Ca -0.07 -2.25 -0.20 0.00 -0.05 0.00 0.00 57.45 54.87 1wgp n PHE 14 Cb 0.30 -1.98 -0.09 0.00 -0.94 0.00 0.00 39.48 36.77 1wgp n PHE 14 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wgp n GLU 15 N 3.29 0.55 0.02 -1.08 -0.58 -1.01 -4.49 120.64 117.33 1wgp n GLU 15 Ca 0.58 0.47 -0.04 0.00 -0.42 0.00 0.00 57.16 57.76 1wgp n GLU 15 Cb 0.44 -1.66 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 1wgp n GLU 15 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1wgp h ASN 16 N -1.00 0.00 -2.59 1.62 -1.07 -1.83 -3.47 115.58 107.24 1wgp h ASN 16 Ca -0.36 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.41 1wgp h ASN 16 Cb 1.24 0.00 0.09 0.00 -2.07 0.00 0.00 38.32 37.58 1wgp h ASN 16 CO -0.22 0.77 0.51 0.80 0.07 0.00 0.00 177.43 179.36 1wgp n MET 17 N -3.01 1.84 -3.48 4.14 1.56 -1.26 -4.96 117.12 111.95 1wgp n MET 17 Ca -0.11 0.65 -0.32 0.00 -0.27 0.00 0.00 57.70 57.65 1wgp n MET 17 Cb 0.93 -2.25 -0.05 0.00 2.15 0.00 0.00 33.22 33.99 1wgp n MET 17 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1wgp s ASP 18 N 0.12 6.62 0.20 6.12 2.15 -1.26 -4.92 116.67 125.70 1wgp s ASP 18 Ca 0.67 0.86 -0.20 0.00 0.43 0.00 0.00 52.55 54.31 1wgp s ASP 18 Cb -0.68 -2.20 0.16 0.00 -0.30 0.00 0.00 42.92 39.90 1wgp s ASP 18 CO 0.52 -0.01 1.58 -0.33 -0.17 0.00 0.00 175.17 176.76 1wgp h GLU 19 N 2.82 -0.11 -1.09 4.34 5.08 -1.98 0.98 114.58 124.62 1wgp h GLU 19 Ca -0.47 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.20 1wgp h GLU 19 Cb 1.17 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1wgp h GLU 19 CO 0.69 -0.07 0.69 0.00 -1.00 0.00 0.00 179.01 179.32 1wgp h ARG 20 N -0.11 0.33 -0.00 2.33 2.47 -1.99 1.51 114.38 118.91 1wgp h ARG 20 Ca 0.27 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.79 1wgp h ARG 20 Cb 0.56 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1wgp h ARG 20 CO -0.76 0.22 -0.81 1.25 0.56 0.00 0.00 179.97 180.42 1wgp h LEU 21 N 0.34 0.15 0.11 3.04 5.85 0.49 -1.88 115.31 123.41 1wgp h LEU 21 Ca 0.64 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 1wgp h LEU 21 Cb 1.69 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1wgp h LEU 21 CO -0.34 0.89 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.53 1wgp h LEU 22 N 0.07 -0.13 0.58 2.25 -0.00 0.45 0.15 115.31 118.68 1wgp h LEU 22 Ca -0.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 57.64 1wgp h LEU 22 Cb 1.42 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 42.12 1wgp h LEU 22 CO 0.12 0.12 -0.28 -0.78 -0.00 0.00 0.00 178.44 177.61 1wgp h ASP 23 N -0.37 -0.66 -0.86 -0.43 1.82 -0.80 0.80 116.42 115.92 1wgp h ASP 23 Ca -0.02 0.02 0.19 0.00 -0.39 0.00 0.00 57.03 56.83 1wgp h ASP 23 Cb 0.31 0.17 -0.11 0.00 0.68 0.00 0.00 39.33 40.37 1wgp h ASP 23 CO 0.03 -0.46 0.38 0.00 -1.61 0.00 0.00 179.24 177.58 1wgp h ALA 24 N -0.37 1.32 -0.28 -0.78 0.00 -1.33 0.96 119.26 118.78 1wgp h ALA 24 Ca -0.08 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1wgp h ALA 24 Cb 0.60 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wgp h ALA 24 CO 0.13 -0.26 -0.09 0.82 0.00 0.00 0.00 179.25 179.86 1wgp h ILE 25 N 0.46 1.29 -0.10 0.00 2.04 -0.20 -3.01 117.51 117.99 1wgp h ILE 25 Ca 0.51 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1wgp h ILE 25 Cb 0.88 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1wgp h ILE 25 CO -0.47 0.36 -0.06 0.00 0.00 0.00 0.00 178.15 177.98 1wgp h GLU 27 N -0.06 0.00 0.04 0.00 5.08 0.87 0.69 114.58 121.20 1wgp h GLU 27 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1wgp h GLU 27 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1wgp h GLU 27 CO -0.13 0.00 -0.64 -0.09 -1.00 0.00 0.00 179.01 177.15 1wgp h ARG 28 N 0.00 0.37 -5.04 2.33 1.12 -0.67 -3.44 114.38 109.05 1wgp h ARG 28 Ca 0.32 -0.45 -0.57 0.00 -1.11 0.00 0.00 59.98 58.17 1wgp h ARG 28 Cb 1.83 0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 31.87 1wgp h ARG 28 CO -0.00 1.13 1.48 1.28 -3.11 0.00 0.00 179.97 180.74 1wgp n LEU 29 N -4.21 0.44 -4.91 3.80 4.77 0.24 -4.86 117.00 112.27 1wgp n LEU 29 Ca -0.11 0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 55.96 1wgp n LEU 29 Cb 0.70 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1wgp n LEU 29 CO 0.47 -0.69 0.31 -0.54 -1.33 0.00 0.00 177.39 175.61 1wgp s LYS 30 N 7.26 3.56 -0.43 3.23 1.02 -1.22 -4.88 119.74 128.28 1wgp s LYS 30 Ca 1.21 0.01 -0.29 0.00 0.02 0.00 0.00 55.97 56.92 1wgp s LYS 30 Cb -1.27 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1wgp s LYS 30 CO 0.52 0.01 1.43 -1.25 -0.92 0.00 0.00 175.35 175.13 1wgp s PRO 31 N -4.29 3.52 0.03 -1.68 0.04 -1.26 -3.54 135.00 127.83 1wgp s PRO 31 Ca 0.45 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 1wgp s PRO 31 Cb -0.10 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.40 1wgp s PRO 31 CO 0.38 -1.64 0.22 0.00 0.04 0.00 0.00 177.00 176.01 1wgp s LEU 33 N -1.86 1.94 -0.05 0.00 2.96 -1.26 -4.24 118.68 116.17 1wgp s LEU 33 Ca -0.08 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1wgp s LEU 33 Cb -0.03 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.02 1wgp s LEU 33 CO -0.02 -0.37 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.15 1wgp s PHE 34 N -1.72 2.73 0.17 5.38 0.08 -1.24 -5.06 117.98 118.33 1wgp s PHE 34 Ca -0.13 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1wgp s PHE 34 Cb -0.07 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1wgp s PHE 34 CO -0.01 0.19 0.05 0.25 -0.10 0.00 0.00 175.22 175.60 1wgp n THR 35 N 2.34 0.00 -1.76 0.64 -2.24 -1.26 -3.02 114.28 108.99 1wgp n THR 35 Ca -0.17 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 1wgp n THR 35 Cb 0.52 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1wgp n THR 35 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wgp n GLU 36 N -0.60 2.65 -3.05 -0.78 0.28 -1.26 -2.27 120.64 115.62 1wgp n GLU 36 Ca -0.05 0.94 -0.12 0.00 -0.16 0.00 0.00 57.16 57.77 1wgp n GLU 36 Cb 0.21 -2.68 0.04 0.00 1.43 0.00 0.00 31.44 30.44 1wgp n GLU 36 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wgp n LYS 37 N 1.23 -4.03 -4.51 3.44 5.02 -0.80 -5.02 118.16 113.49 1wgp n LYS 37 Ca 0.05 0.42 -0.33 0.00 -2.02 0.00 0.00 58.31 56.42 1wgp n LYS 37 Cb 0.38 -4.21 -0.14 0.00 -0.02 0.00 0.00 35.03 31.03 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 -3.18 4.03 -0.27 4.39 0.01 -0.96 -4.97 113.70 112.75 1wgp s SER 38 Ca 0.29 -0.36 -0.10 0.00 1.31 0.00 0.00 55.95 57.09 1wgp s SER 38 Cb -0.13 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1wgp s SER 38 CO 0.37 0.11 0.14 -0.31 0.41 0.00 0.00 173.24 173.96 1wgp s TYR 39 N 0.69 3.17 -0.10 2.43 2.02 -1.26 -1.33 117.35 122.96 1wgp s TYR 39 Ca -0.06 -0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 56.51 1wgp s TYR 39 Cb -0.15 -2.32 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 1wgp s TYR 39 CO 0.02 -0.23 -0.08 -0.07 -1.57 0.00 0.00 175.55 173.62 1wgp h LEU 40 N 8.29 0.00 -8.69 -1.29 4.07 -1.94 -3.49 115.31 112.26 1wgp h LEU 40 Ca -0.36 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.12 1wgp h LEU 40 Cb 1.18 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.74 1wgp h LEU 40 CO 0.56 0.51 -0.78 0.68 -1.08 0.00 0.00 178.44 178.34 1wgp s VAL 41 N -1.75 1.56 -0.10 1.22 -7.23 -1.26 -5.00 120.40 107.85 1wgp s VAL 41 Ca -0.07 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1wgp s VAL 41 Cb 0.01 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.33 1wgp s VAL 41 CO 0.10 -0.32 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.30 1wgp s ARG 42 N -2.57 2.09 0.13 4.82 3.00 -1.26 -3.11 118.95 122.05 1wgp s ARG 42 Ca 0.11 -0.51 -0.31 0.00 0.00 0.00 0.00 55.73 55.01 1wgp s ARG 42 Cb -0.06 -1.80 -0.09 0.00 0.00 0.00 0.00 34.95 33.00 1wgp s ARG 42 CO 0.05 -0.07 1.57 -2.00 0.00 0.00 0.00 175.30 174.85 1wgp s GLU 43 N 1.01 4.22 0.00 3.54 2.12 -1.26 -2.23 118.70 126.10 1wgp s GLU 43 Ca -0.07 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1wgp s GLU 43 Cb -0.15 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1wgp s GLU 43 CO -0.02 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 1wgp n GLY 44 N 3.80 2.98 3.87 -1.50 0.00 -1.26 -4.94 105.19 108.13 1wgp n GLY 44 Ca 0.14 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 0.05 6.28 0.81 1.61 1.11 -0.95 -4.89 116.67 120.70 1wgp s ASP 45 Ca 0.00 1.43 -0.12 0.00 0.18 0.00 0.00 52.55 54.04 1wgp s ASP 45 Cb 0.00 -2.47 0.08 0.00 1.07 0.00 0.00 42.92 41.60 1wgp s ASP 45 CO 0.00 -0.83 1.10 -2.16 1.18 0.00 0.00 175.17 174.46 1wgp s PRO 46 N -5.04 1.95 -0.16 8.23 0.04 -1.26 -3.58 135.00 135.18 1wgp s PRO 46 Ca 0.55 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.18 1wgp s PRO 46 Cb -0.11 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wgp s PRO 46 CO 0.51 -1.70 -0.14 0.08 0.04 0.00 0.00 177.00 175.78 1wgp s VAL 47 N -3.17 2.72 -0.13 -0.36 1.01 -1.06 -4.82 120.40 114.59 1wgp s VAL 47 Ca 0.61 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1wgp s VAL 47 Cb -0.14 -2.16 -0.25 0.00 0.00 0.00 0.00 36.38 33.83 1wgp s VAL 47 CO 0.54 0.51 0.33 -3.20 0.00 0.00 0.00 175.10 173.28 1wgp n ASN 48 N 4.08 1.94 -3.91 3.32 5.15 -1.26 -4.49 115.26 120.09 1wgp n ASN 48 Ca -0.19 0.19 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1wgp n ASN 48 Cb 0.52 -0.70 -0.10 0.00 -0.53 0.00 0.00 39.78 38.96 1wgp n ASN 48 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1wgp s GLU 49 N -2.56 0.41 0.01 1.20 1.03 -1.26 -2.65 118.70 114.88 1wgp s GLU 49 Ca -0.22 -0.45 -0.09 0.00 0.03 0.00 0.00 54.97 54.24 1wgp s GLU 49 Cb 0.07 0.16 -0.05 0.00 -0.80 0.00 0.00 34.13 33.51 1wgp s GLU 49 CO 0.76 -0.09 0.32 1.41 -1.33 0.00 0.00 175.26 176.33 1wgp s MET 50 N -1.35 3.69 -0.17 -4.83 1.75 0.52 -4.83 119.30 114.09 1wgp s MET 50 Ca -0.15 0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 54.37 1wgp s MET 50 Cb -0.08 -3.10 -0.02 0.00 2.84 0.00 0.00 34.83 34.47 1wgp s MET 50 CO 0.01 0.65 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.45 1wgp s LEU 51 N -1.55 3.01 -0.47 4.11 2.01 -1.26 -0.79 118.68 123.74 1wgp s LEU 51 Ca 0.27 -0.25 -0.11 0.00 0.01 0.00 0.00 54.13 54.04 1wgp s LEU 51 Cb -0.14 -1.72 0.11 0.00 0.01 0.00 0.00 46.19 44.44 1wgp s LEU 51 CO 0.14 0.12 0.36 -0.36 1.01 0.00 0.00 176.35 177.62 1wgp s PHE 52 N 0.66 3.35 -0.13 0.29 0.40 -1.15 -3.32 117.98 118.08 1wgp s PHE 52 Ca -0.04 -1.56 -0.33 0.00 -0.60 0.00 0.00 56.93 54.40 1wgp s PHE 52 Cb -0.15 -3.38 -0.10 0.00 0.51 0.00 0.00 43.02 39.90 1wgp s PHE 52 CO 0.02 -0.94 2.00 -0.89 0.70 0.00 0.00 175.22 176.11 1wgp n ILE 53 N 5.01 0.52 -0.10 0.64 2.08 -1.26 -3.56 119.36 122.69 1wgp n ILE 53 Ca -0.10 -0.19 -0.15 0.00 0.56 0.00 0.00 62.75 62.87 1wgp n ILE 53 Cb 0.41 -2.03 -0.06 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 5.92 1.49 -3.64 1.39 2.08 -0.97 -4.44 119.36 121.19 1wgp n ILE 54 Ca 0.26 0.02 -0.06 0.00 0.56 0.00 0.00 62.75 63.53 1wgp n ILE 54 Cb 0.33 -2.19 -0.07 0.00 -0.75 0.00 0.00 39.64 36.96 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 -2.44 0.67 0.00 0.38 6.06 -0.84 -4.51 118.95 118.27 1wgp s ARG 55 Ca -0.26 1.22 0.00 0.00 -2.50 0.00 0.00 55.73 54.19 1wgp s ARG 55 Cb 0.06 0.22 0.00 0.00 0.06 0.00 0.00 34.95 35.29 1wgp s ARG 55 CO 0.42 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.48 1wgp n GLY 56 N 4.41 0.66 3.45 8.12 0.00 -1.26 -2.00 105.19 118.57 1wgp n GLY 56 Ca -0.19 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.65 1.62 0.28 1.61 6.06 -1.26 -4.42 118.95 121.18 1wgp s ARG 57 Ca 0.00 -1.76 -0.14 0.00 -2.50 0.00 0.00 55.73 51.33 1wgp s ARG 57 Cb 0.00 -1.55 0.01 0.00 0.06 0.00 0.00 34.95 33.46 1wgp s ARG 57 CO 0.00 0.23 0.55 -0.51 -2.50 0.00 0.00 175.30 173.07 1wgp s LEU 58 N -3.48 0.25 -0.20 -0.88 1.02 -1.26 -4.54 118.68 109.60 1wgp s LEU 58 Ca 0.29 -0.95 -0.01 0.00 0.02 0.00 0.00 54.13 53.49 1wgp s LEU 58 Cb -0.02 2.01 0.01 0.00 0.02 0.00 0.00 46.19 48.22 1wgp s LEU 58 CO 0.13 -1.24 -0.14 -1.83 0.02 0.00 0.00 176.35 173.28 1wgp s GLU 59 N -3.75 3.07 -0.18 1.70 -1.05 -0.69 -4.07 118.70 113.74 1wgp s GLU 59 Ca 0.21 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 54.12 1wgp s GLU 59 Cb -0.02 -2.74 -0.05 0.00 -0.44 0.00 0.00 34.13 30.89 1wgp s GLU 59 CO 0.10 -0.23 0.19 0.45 0.95 0.00 0.00 175.26 176.72 1wgp s SER 60 N 1.34 6.31 0.03 0.83 0.15 -0.17 -1.56 113.70 120.63 1wgp s SER 60 Ca 0.05 0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 1wgp s SER 60 Cb -0.14 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1wgp s SER 60 CO -0.09 0.16 0.12 -0.69 1.20 0.00 0.00 173.24 173.94 1wgp s VAL 61 N 0.32 0.12 0.04 4.45 1.01 -0.64 0.16 120.40 125.85 1wgp s VAL 61 Ca 0.12 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1wgp s VAL 61 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1wgp s VAL 61 CO 0.01 -0.52 -0.22 0.28 0.00 0.00 0.00 175.10 174.64 1wgp s THR 62 N -2.27 1.76 -0.14 3.92 -1.32 -1.22 -0.17 115.64 116.20 1wgp s THR 62 Ca -0.08 -1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 59.13 1wgp s THR 62 Cb -0.03 -1.52 -0.07 0.00 -1.51 0.00 0.00 72.50 69.38 1wgp s THR 62 CO -0.03 0.25 -0.17 0.35 -2.21 0.00 0.00 174.62 172.81 1wgp n THR 63 N 1.88 0.79 -3.15 5.08 -2.24 -1.26 -4.21 114.28 111.17 1wgp n THR 63 Ca -0.17 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 1wgp n THR 63 Cb 0.53 -1.54 -0.05 0.00 -2.10 0.00 0.00 70.33 67.17 1wgp n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wgp s ASP 64 N -6.08 6.92 0.00 3.42 -1.08 -1.26 -4.77 116.67 113.82 1wgp s ASP 64 Ca -0.20 1.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.93 1wgp s ASP 64 Cb 0.07 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1wgp s ASP 64 CO 0.27 -0.03 0.00 0.61 0.52 0.00 0.00 175.17 176.54 1wgp n GLY 65 N 2.95 -1.24 0.00 2.66 0.00 -1.26 -5.11 105.19 103.18 1wgp n GLY 65 Ca -0.04 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1wgp n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgp n GLY 66 N 0.00 1.62 5.00 -0.02 0.00 -1.26 -4.98 105.19 105.55 1wgp n GLY 66 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.42 0.00 0.02 1.61 0.00 -1.26 -4.48 116.66 112.98 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 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1wgp n ARG 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1wgp h SER 68 N 0.00 -0.30 0.00 6.15 4.64 -2.03 -3.48 113.55 118.53 1wgp h SER 68 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wgp h SER 68 Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1wgp h SER 68 CO 0.00 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.43 1wgp n GLY 69 N -1.23 -0.80 0.07 -0.77 0.00 -1.26 -4.98 105.19 96.22 1wgp n GLY 69 Ca -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 0.57 0.18 -3.15 1.61 3.72 -1.26 -4.59 117.46 114.54 1wgp n PHE 70 Ca 0.00 0.06 0.05 0.00 -0.05 0.00 0.00 57.45 57.51 1wgp n PHE 70 Cb 0.00 -0.87 -0.01 0.00 -0.94 0.00 0.00 39.48 37.66 1wgp n PHE 70 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1wgp s TYR 71 N -2.87 -1.04 -0.78 1.38 2.02 -1.26 -4.93 117.35 109.86 1wgp s TYR 71 Ca -0.08 0.92 -0.22 0.00 -0.37 0.00 0.00 57.07 57.31 1wgp s TYR 71 Cb 0.09 0.30 0.07 0.00 -0.40 0.00 0.00 41.96 42.02 1wgp s TYR 71 CO 0.85 -0.59 1.12 1.21 -1.57 0.00 0.00 175.55 176.58 1wgp s ASN 72 N 2.91 6.32 0.44 2.29 2.47 -1.26 -4.94 114.94 123.16 1wgp s ASN 72 Ca 0.12 -1.20 -0.21 0.00 0.42 0.00 0.00 52.86 51.99 1wgp s ASN 72 Cb -0.10 -2.46 -0.11 0.00 -1.45 0.00 0.00 41.25 37.13 1wgp s ASN 72 CO -0.18 -1.43 0.95 -0.60 -3.72 0.00 0.00 177.10 172.12 1wgp s ARG 73 N 4.15 4.21 0.26 0.43 3.52 -1.26 -3.42 118.95 126.84 1wgp s ARG 73 Ca 0.30 1.12 -0.05 0.00 -0.13 0.00 0.00 55.73 56.96 1wgp s ARG 73 Cb -0.10 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 1wgp s ARG 73 CO 0.04 -0.05 0.34 -1.12 -0.81 0.00 0.00 175.30 173.70 1wgp s SER 74 N -2.22 0.35 0.15 -2.12 0.01 0.42 -4.96 113.70 105.32 1wgp s SER 74 Ca 0.62 -1.27 0.06 0.00 1.31 0.00 0.00 55.95 56.66 1wgp s SER 74 Cb -0.09 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1wgp s SER 74 CO 0.14 -1.07 -0.13 -0.22 0.41 0.00 0.00 173.24 172.38 1wgp s LEU 75 N -3.14 2.48 0.12 2.44 2.96 -1.26 -1.00 118.68 121.28 1wgp s LEU 75 Ca 0.31 -0.93 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1wgp s LEU 75 Cb 0.02 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 1wgp s LEU 75 CO 0.14 -0.21 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.10 1wgp s LEU 76 N -2.89 2.50 0.00 -0.68 1.43 -1.26 -4.90 118.68 112.88 1wgp s LEU 76 Ca 0.15 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1wgp s LEU 76 Cb -0.01 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 1wgp s LEU 76 CO 0.03 -0.36 0.19 2.29 0.23 0.00 0.00 176.35 178.73 1wgp n LYS 77 N -0.00 0.52 -1.68 1.70 2.85 -1.26 -4.39 118.16 115.89 1wgp n LYS 77 Ca -0.12 -3.45 -0.44 0.00 -1.05 0.00 0.00 58.31 53.25 1wgp n LYS 77 Cb 0.60 2.18 -0.04 0.00 -0.65 0.00 0.00 35.03 37.12 1wgp n LYS 77 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wgp n GLU 78 N -0.84 2.54 0.00 -1.58 0.28 -1.26 -2.20 120.64 117.59 1wgp n GLU 78 Ca -0.01 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 57.91 1wgp n GLU 78 Cb 0.62 -2.79 0.00 0.00 1.43 0.00 0.00 31.44 30.70 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 4.13 3.29 3.77 -1.84 0.00 -1.26 -4.97 105.19 108.31 1wgp n GLY 79 Ca 0.19 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 6.12 0.49 1.61 -1.08 -0.93 -4.81 116.67 118.07 1wgp s ASP 80 Ca 0.00 2.34 0.02 0.00 -0.52 0.00 0.00 52.55 54.39 1wgp s ASP 80 Cb 0.00 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 1wgp s ASP 80 CO 0.00 -0.95 0.02 0.72 0.52 0.00 0.00 175.17 175.48 1wgp s PHE 81 N -1.53 1.97 0.15 -5.34 -0.12 -1.26 -4.23 117.98 107.62 1wgp s PHE 81 Ca 0.64 -0.90 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 1wgp s PHE 81 Cb -0.29 -1.65 -0.04 0.00 -0.63 0.00 0.00 43.02 40.40 1wgp s PHE 81 CO 0.36 0.24 -0.10 0.00 -0.05 0.00 0.00 175.22 175.67 1wgp n GLY 83 N -0.21 -0.28 0.39 0.00 0.00 -1.26 -4.16 105.19 99.66 1wgp n GLY 83 Ca -0.10 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.53 -0.93 1.61 2.03 -1.91 0.45 116.42 118.20 1wgp h ASP 84 Ca -0.09 0.07 0.27 0.00 -0.73 0.00 0.00 57.03 56.55 1wgp h ASP 84 Cb 0.88 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 39.32 1wgp h ASP 84 CO 0.12 0.17 0.94 -0.33 -1.03 0.00 0.00 179.24 179.11 1wgp h GLU 85 N 0.51 0.00 -0.40 4.15 4.39 -1.84 1.44 114.58 122.82 1wgp h GLU 85 Ca 0.55 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.19 1wgp h GLU 85 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1wgp h GLU 85 CO -0.28 0.00 0.01 1.25 -1.16 0.00 0.00 179.01 178.83 1wgp h LEU 86 N 0.00 0.68 -0.05 1.33 5.85 -0.40 0.56 115.31 123.28 1wgp h LEU 86 Ca 0.44 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1wgp h LEU 86 Cb 2.32 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 43.12 1wgp h LEU 86 CO -0.00 0.81 -0.19 0.25 -0.34 0.00 0.00 178.44 178.97 1wgp h LEU 87 N 0.53 -0.56 -0.70 2.25 5.85 0.18 -1.53 115.31 121.33 1wgp h LEU 87 Ca 0.11 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wgp h LEU 87 Cb 0.45 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1wgp h LEU 87 CO 0.02 -0.24 -0.10 0.74 -0.34 0.00 0.00 178.44 178.51 1wgp h THR 88 N -0.28 1.26 -0.22 1.05 2.02 -1.40 -2.50 112.91 112.85 1wgp h THR 88 Ca 0.07 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.07 1wgp h THR 88 Cb 0.38 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1wgp h THR 88 CO -0.21 0.42 -0.32 -0.25 0.37 0.00 0.00 175.52 175.53 1wgp h TRP 89 N 0.80 -0.99 -0.21 3.16 7.01 0.94 1.45 115.95 128.11 1wgp h TRP 89 Ca 0.13 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.24 1wgp h TRP 89 Cb 0.62 0.46 -0.07 0.00 -2.10 0.00 0.00 29.16 28.08 1wgp h TRP 89 CO 0.04 -0.29 -0.27 0.00 -2.79 0.00 0.00 178.44 175.13 1wgp h ALA 90 N -0.59 -0.21 -0.54 2.65 0.00 -1.28 0.61 119.26 119.91 1wgp h ALA 90 Ca 0.04 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1wgp h ALA 90 Cb 0.35 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1wgp h ALA 90 CO -0.34 -0.71 0.50 -0.07 0.00 0.00 0.00 179.25 178.63 1wgp h LEU 91 N -0.29 0.00 -8.93 0.00 4.07 -0.70 -3.37 115.31 106.09 1wgp h LEU 91 Ca 0.13 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.48 1wgp h LEU 91 Cb 0.49 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.12 1wgp h LEU 91 CO -0.38 0.00 0.33 -0.62 -1.08 0.00 0.00 178.44 176.69 1wgp s ASP 92 N -5.40 6.63 0.19 -0.43 2.15 0.48 -4.92 116.67 115.38 1wgp s ASP 92 Ca -0.04 0.65 0.05 0.00 0.43 0.00 0.00 52.55 53.63 1wgp s ASP 92 Cb 0.17 -2.39 0.08 0.00 -0.30 0.00 0.00 42.92 40.49 1wgp s ASP 92 CO 0.61 -0.55 1.44 1.55 -0.17 0.00 0.00 175.17 178.05 1wgp h PRO 93 N 8.07 0.15 -0.76 4.34 0.13 -1.77 -3.17 132.00 139.00 1wgp h PRO 93 Ca -0.25 -0.15 0.09 0.00 -0.87 0.00 0.00 66.00 64.82 1wgp h PRO 93 Cb 1.10 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 1wgp h PRO 93 CO 0.85 0.86 0.41 0.87 -0.23 0.00 0.00 178.00 180.77 1wgp h LYS 94 N 0.09 0.67 -6.18 0.86 1.79 -1.83 -3.39 116.57 108.58 1wgp h LYS 94 Ca -0.03 -0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.84 1wgp h LYS 94 Cb 1.38 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1wgp h LYS 94 CO 0.12 0.44 0.95 -1.54 -1.08 0.00 0.00 179.45 178.34 1wgp s SER 95 N -5.55 6.87 -0.31 0.86 1.04 -1.20 -4.85 113.70 110.55 1wgp s SER 95 Ca -0.12 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.05 1wgp s SER 95 Cb 0.18 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 64.04 1wgp s SER 95 CO 0.77 -0.81 1.27 0.61 0.98 0.00 0.00 173.24 176.06 1wgp n GLY 96 N 3.76 -1.95 0.80 7.32 0.00 -1.26 -4.90 105.19 108.95 1wgp n GLY 96 Ca 0.15 1.12 0.00 0.00 0.00 0.00 0.00 46.02 47.29 1wgp n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgp n SER 97 N 1.57 -0.12 -3.92 1.61 7.64 -1.26 -5.11 113.62 114.02 1wgp n SER 97 Ca 0.01 0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.70 1wgp n SER 97 Cb 0.71 0.32 -0.17 0.00 -1.01 0.00 0.00 64.21 64.06 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 -2.00 1.68 0.90 6.43 3.84 -1.26 -5.13 114.94 119.41 1wgp s ASN 98 Ca 0.00 -0.23 -0.16 0.00 0.21 0.00 0.00 52.86 52.68 1wgp s ASN 98 Cb 0.00 -0.69 -0.10 0.00 -0.55 0.00 0.00 41.25 39.91 1wgp s ASN 98 CO 0.00 -0.07 -0.34 0.18 -2.79 0.00 0.00 177.10 174.08 1wgp n LEU 99 N 4.40 -3.87 0.00 3.21 4.77 -1.26 -4.96 117.00 119.29 1wgp n LEU 99 Ca -0.18 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1wgp n LEU 99 Cb 0.51 -0.91 0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1wgp n LEU 99 CO 0.20 -5.11 0.09 -0.81 -1.33 0.00 0.00 177.39 170.43 1wgp n PRO 100 N 1.17 -0.69 -4.40 3.23 -0.04 -1.26 -4.77 135.00 128.24 1wgp n PRO 100 Ca 0.02 -0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.02 1wgp n PRO 100 Cb 0.54 -0.17 -0.11 0.00 -0.04 0.00 0.00 33.50 33.71 1wgp n PRO 100 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgp s SER 101 N -1.70 3.21 0.65 3.54 0.01 -1.26 -2.57 113.70 115.57 1wgp s SER 101 Ca 0.08 -0.90 -0.09 0.00 1.31 0.00 0.00 55.95 56.35 1wgp s SER 101 Cb -0.01 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1wgp s SER 101 CO 0.06 0.05 1.01 -0.55 0.41 0.00 0.00 173.24 174.22 1wgp s SER 102 N -2.85 5.63 -0.06 2.44 0.15 -1.23 -4.71 113.70 113.06 1wgp s SER 102 Ca 0.21 1.03 -0.06 0.00 0.70 0.00 0.00 55.95 57.84 1wgp s SER 102 Cb -0.06 -1.95 -0.28 0.00 -1.71 0.00 0.00 66.02 62.02 1wgp s SER 102 CO 0.10 -1.16 0.62 0.71 1.20 0.00 0.00 173.24 174.71 1wgp h THR 103 N -0.42 0.88 -2.83 6.45 1.35 -1.96 -3.41 112.91 112.97 1wgp h THR 103 Ca -0.45 -2.54 0.01 0.00 -0.55 0.00 0.00 66.41 62.88 1wgp h THR 103 Cb 1.24 2.65 -0.13 0.00 -1.73 0.00 0.00 68.15 70.18 1wgp h THR 103 CO 0.63 0.83 0.27 0.00 -0.25 0.00 0.00 175.52 177.00 1wgp s ARG 104 N -2.58 1.18 -0.59 4.72 3.03 -1.26 -4.95 118.95 118.49 1wgp s ARG 104 Ca -0.15 -0.42 -0.26 0.00 2.03 0.00 0.00 55.73 56.93 1wgp s ARG 104 Cb 0.06 0.54 0.04 0.00 -1.03 0.00 0.00 34.95 34.56 1wgp s ARG 104 CO 0.82 -0.51 1.06 0.99 -1.13 0.00 0.00 175.30 176.53 1wgp s THR 105 N -3.57 4.20 -0.02 4.99 2.01 0.77 -4.32 115.64 119.69 1wgp s THR 105 Ca 0.02 0.45 -0.03 0.00 0.31 0.00 0.00 61.69 62.44 1wgp s THR 105 Cb -0.01 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 1wgp s THR 105 CO -0.12 -1.29 0.17 -0.69 -0.69 0.00 0.00 174.62 172.00 1wgp s VAL 106 N 4.47 5.36 0.17 3.82 1.01 -1.18 -1.63 120.40 132.41 1wgp s VAL 106 Ca 0.34 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1wgp s VAL 106 Cb -0.11 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1wgp s VAL 106 CO 0.20 0.35 0.00 -0.75 0.00 0.00 0.00 175.10 174.90 1wgp s LYS 107 N -1.86 1.09 -0.27 2.72 2.20 -0.60 -3.25 119.74 119.77 1wgp s LYS 107 Ca 0.26 -1.52 -0.07 0.00 -0.36 0.00 0.00 55.97 54.28 1wgp s LYS 107 Cb -0.13 -0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 35.94 1wgp s LYS 107 CO 0.17 -0.13 0.07 0.00 -0.36 0.00 0.00 175.35 175.10 1wgp s ALA 108 N -3.68 3.09 -0.11 3.13 0.00 -0.44 -1.70 121.76 122.06 1wgp s ALA 108 Ca 0.24 -1.27 0.17 0.00 0.00 0.00 0.00 51.96 51.09 1wgp s ALA 108 Cb 0.06 -2.08 -0.24 0.00 0.00 0.00 0.00 23.12 20.85 1wgp s ALA 108 CO 0.04 -0.67 0.19 1.28 0.00 0.00 0.00 175.76 176.60 1wgp n LEU 109 N 4.89 0.00 -4.17 0.00 4.32 -1.26 -1.91 117.00 118.87 1wgp n LEU 109 Ca -0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.70 1wgp n LEU 109 Cb 0.50 0.26 -0.11 0.00 -1.62 0.00 0.00 43.42 42.45 1wgp n LEU 109 CO 0.31 0.26 -0.40 0.28 -1.22 0.00 0.00 177.39 176.61 1wgp s THR 110 N -2.76 0.85 -0.46 -5.08 -1.32 -1.26 -4.76 115.64 100.85 1wgp s THR 110 Ca -0.08 -1.71 -0.44 0.00 -1.21 0.00 0.00 61.69 58.25 1wgp s THR 110 Cb 0.08 -1.42 -0.18 0.00 -1.51 0.00 0.00 72.50 69.46 1wgp s THR 110 CO 0.73 -0.65 1.92 1.21 -2.21 0.00 0.00 174.62 175.61 1wgp n GLU 111 N 0.40 0.21 -4.30 7.08 2.13 -1.26 -4.74 120.64 120.16 1wgp n GLU 111 Ca -0.15 0.07 -0.28 0.00 0.66 0.00 0.00 57.16 57.46 1wgp n GLU 111 Cb 0.59 -1.65 -0.10 0.00 0.27 0.00 0.00 31.44 30.54 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 4.83 2.99 -0.12 6.31 -7.23 -1.17 -4.61 120.40 121.41 1wgp s VAL 112 Ca 1.12 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1wgp s VAL 112 Cb -1.40 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 33.15 1wgp s VAL 112 CO 0.70 0.01 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.75 1wgp s GLU 113 N -2.44 1.23 0.33 4.82 2.12 -0.85 -3.62 118.70 120.28 1wgp s GLU 113 Ca 0.21 -0.23 -0.18 0.00 0.36 0.00 0.00 54.97 55.13 1wgp s GLU 113 Cb -0.10 -1.55 0.04 0.00 0.26 0.00 0.00 34.13 32.78 1wgp s GLU 113 CO 0.12 -0.33 0.78 0.00 -0.54 0.00 0.00 175.26 175.29 1wgp s ALA 114 N 1.77 -1.00 0.46 6.30 0.00 -1.26 -1.98 121.76 126.05 1wgp s ALA 114 Ca 0.04 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1wgp s ALA 114 Cb -0.13 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1wgp s ALA 114 CO -0.07 -1.01 0.18 -0.06 0.00 0.00 0.00 175.76 174.79 1wgp s PHE 115 N -2.95 2.21 0.28 0.00 0.40 -1.23 -4.27 117.98 112.41 1wgp s PHE 115 Ca 0.14 -0.73 0.09 0.00 -0.60 0.00 0.00 56.93 55.83 1wgp s PHE 115 Cb -0.05 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 1wgp s PHE 115 CO 0.09 0.06 0.04 0.00 0.70 0.00 0.00 175.22 176.11 1wgp s ALA 116 N -2.71 3.25 -0.23 5.36 0.00 -1.23 -2.95 121.76 123.26 1wgp s ALA 116 Ca 0.31 -1.68 -0.07 0.00 0.00 0.00 0.00 51.96 50.52 1wgp s ALA 116 Cb 0.02 -0.79 0.10 0.00 0.00 0.00 0.00 23.12 22.45 1wgp s ALA 116 CO 0.18 0.22 0.48 -1.17 0.00 0.00 0.00 175.76 175.46 1wgp s LEU 117 N -3.72 -0.78 0.28 0.00 1.98 0.03 -3.43 118.68 113.04 1wgp s LEU 117 Ca 0.33 1.10 -0.23 0.00 -2.89 0.00 0.00 54.13 52.44 1wgp s LEU 117 Cb -0.06 1.59 -0.09 0.00 0.66 0.00 0.00 46.19 48.29 1wgp s LEU 117 CO 0.21 -0.23 0.84 -0.51 -1.89 0.00 0.00 176.35 174.76 1wgp s ILE 118 N 2.68 4.39 -0.01 6.68 2.07 -1.26 0.20 121.20 135.95 1wgp s ILE 118 Ca -0.02 1.55 -0.25 0.00 -1.41 0.00 0.00 60.65 60.52 1wgp s ILE 118 Cb -0.12 -3.93 -0.19 0.00 0.13 0.00 0.00 42.46 38.35 1wgp s ILE 118 CO -0.15 0.16 1.32 0.00 -1.91 0.00 0.00 174.94 174.37 1wgp h ALA 119 N 3.25 0.02 -0.53 1.50 0.00 -1.87 -2.91 119.26 118.73 1wgp h ALA 119 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1wgp h ALA 119 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wgp h ALA 119 CO 0.65 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 1wgp n ASP 120 N -4.86 0.00 -0.32 0.00 8.00 -1.26 0.20 116.55 118.30 1wgp n ASP 120 Ca -0.08 0.90 0.12 0.00 0.71 0.00 0.00 54.79 56.44 1wgp n ASP 120 Cb 0.23 -0.41 0.26 0.00 -0.02 0.00 0.00 41.12 41.18 1wgp n ASP 120 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wgp h GLU 121 N 0.00 0.04 0.22 -1.24 4.39 -1.99 0.30 114.58 116.30 1wgp h GLU 121 Ca 0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1wgp h GLU 121 Cb 0.00 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1wgp h GLU 121 CO 0.00 0.03 -0.51 1.25 -1.16 0.00 0.00 179.01 178.62 1wgp h LEU 122 N 0.04 -1.50 -0.33 1.33 6.46 -0.04 0.58 115.31 121.86 1wgp h LEU 122 Ca 0.56 0.15 0.07 0.00 -0.12 0.00 0.00 57.88 58.54 1wgp h LEU 122 Cb 1.11 0.54 -0.08 0.00 -0.73 0.00 0.00 40.66 41.50 1wgp h LEU 122 CO -0.86 -0.58 -0.27 0.11 -0.62 0.00 0.00 178.44 176.22 1wgp h LYS 123 N -0.81 -0.23 0.10 1.25 1.57 0.31 1.72 116.57 120.49 1wgp h LYS 123 Ca -0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wgp h LYS 123 Cb 0.78 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1wgp h LYS 123 CO -0.23 -0.15 -0.28 0.35 -0.57 0.00 0.00 179.45 178.57 1wgp h PHE 124 N -0.24 -0.80 -0.52 -1.35 3.04 -0.20 1.75 116.94 118.63 1wgp h PHE 124 Ca 0.16 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.24 1wgp h PHE 124 Cb 0.49 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 1wgp h PHE 124 CO -0.46 -0.32 0.36 -0.24 -2.02 0.00 0.00 178.31 175.62 1wgp h VAL 125 N -0.42 0.83 -0.04 1.41 3.04 0.53 1.57 116.25 123.17 1wgp h VAL 125 Ca -0.01 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 1wgp h VAL 125 Cb 0.41 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1wgp h VAL 125 CO -0.13 0.04 -0.02 0.00 -1.01 0.00 0.00 177.57 176.45 1wgp h ALA 126 N 1.74 0.06 0.23 3.17 0.00 0.40 -2.64 119.26 122.23 1wgp h ALA 126 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wgp h ALA 126 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1wgp h ALA 126 CO -0.04 -0.21 -0.11 1.03 0.00 0.00 0.00 179.25 179.91 1wgp h SER 127 N -0.31 -0.27 -0.25 0.00 0.87 0.42 0.02 113.55 114.03 1wgp h SER 127 Ca 0.01 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1wgp h SER 127 Cb 0.45 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1wgp h SER 127 CO 0.01 0.20 -0.15 0.00 -0.53 0.00 0.00 176.83 176.36 1wgp n GLN 128 N -5.02 -0.11 -0.12 2.24 1.13 0.52 -0.78 117.38 115.24 1wgp n GLN 128 Ca -0.08 1.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.94 1wgp n GLN 128 Cb 0.26 -1.56 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 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 0.50 -1.12 1.08 0.04 -1.58 -3.37 116.94 112.49 1wgp h PHE 129 Ca 0.04 -0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.49 1wgp h PHE 129 Cb 0.10 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 1wgp h PHE 129 CO -0.89 0.36 0.90 0.50 -0.60 0.00 0.00 178.31 178.57 1wgp s ARG 130 N -6.00 2.34 -0.16 1.51 6.06 0.04 -4.93 118.95 117.81 1wgp s ARG 130 Ca -0.13 0.33 -0.13 0.00 -2.50 0.00 0.00 55.73 53.30 1wgp s ARG 130 Cb 0.10 -4.76 -0.05 0.00 0.06 0.00 0.00 34.95 30.31 1wgp s ARG 130 CO 0.73 -3.39 0.27 -0.98 -2.50 0.00 0.00 175.30 169.44 1wgp s ARG 131 N 7.53 4.21 0.06 5.12 1.70 -1.26 -4.69 118.95 131.63 1wgp s ARG 131 Ca 0.77 0.06 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 1wgp s ARG 131 Cb -0.11 -3.41 0.00 0.00 -0.57 0.00 0.00 34.95 30.86 1wgp s ARG 131 CO 0.10 0.28 0.00 0.45 -1.08 0.00 0.00 175.30 175.05 1wgp n SER 132 N 3.46 -7.88 -0.18 -2.89 2.88 -1.26 -5.10 113.62 102.66 1wgp n SER 132 Ca -0.13 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1wgp n SER 132 Cb 0.52 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.67 1wgp n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 133 N 1.47 2.89 3.82 0.46 0.00 -1.26 -5.17 105.19 107.40 1wgp n GLY 133 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 0.47 2.83 0.71 1.61 0.04 -1.26 -5.01 135.00 134.38 1wgp s PRO 134 Ca 0.00 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 1wgp s PRO 134 Cb 0.00 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1wgp s PRO 134 CO 0.00 -1.16 1.17 -1.12 0.04 0.00 0.00 177.00 175.93 1wgp s SER 135 N -3.82 4.48 -0.17 6.66 0.01 -1.26 -4.99 113.70 114.61 1wgp s SER 135 Ca 0.58 2.22 -0.13 0.00 1.31 0.00 0.00 55.95 59.93 1wgp s SER 135 Cb -0.14 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 1wgp s SER 135 CO 0.55 -2.07 -0.22 -0.24 0.41 0.00 0.00 173.24 171.68 1wgp n SER 136 N -2.66 1.87 -0.01 2.44 2.88 -1.26 -4.69 113.62 112.19 1wgp n SER 136 Ca 0.12 0.50 0.16 0.00 -1.33 0.00 0.00 58.87 58.32 1wgp n SER 136 Cb 0.51 -0.83 0.95 0.00 -0.75 0.00 0.00 64.21 64.08 1wgp n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42