#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 -0.86 0.11 1.61 0.15 -1.26 -5.06 113.70 108.40 1wgp s SER 2 Ca 0.00 1.38 -0.33 0.00 0.70 0.00 0.00 55.95 57.69 1wgp s SER 2 Cb 0.00 1.67 -0.12 0.00 -1.71 0.00 0.00 66.02 65.86 1wgp s SER 2 CO 0.00 -0.23 1.56 0.77 1.20 0.00 0.00 173.24 176.55 1wgp h SER 3 N 7.61 -1.53 0.00 5.45 4.64 -2.05 -3.48 113.55 124.19 1wgp h SER 3 Ca -0.24 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1wgp h SER 3 Cb 1.15 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1wgp h SER 3 CO 0.15 -0.52 0.00 0.61 -0.87 0.00 0.00 176.83 176.19 1wgp n GLY 4 N -1.47 3.58 2.77 -0.77 0.00 -1.26 -5.11 105.19 102.94 1wgp n GLY 4 Ca -0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 3.98 0.45 1.61 0.15 -1.26 -5.04 113.70 113.59 1wgp s SER 5 Ca 0.00 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.51 1wgp s SER 5 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1wgp s SER 5 CO 0.00 -0.35 0.00 -0.24 1.20 0.00 0.00 173.24 173.85 1wgp n SER 6 N 4.19 -8.44 0.00 5.45 2.88 -1.26 -5.10 113.62 111.35 1wgp n SER 6 Ca 0.03 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1wgp n SER 6 Cb 0.39 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 1wgp n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 7 N -0.46 4.46 0.32 0.46 0.00 -1.26 -4.99 105.19 103.72 1wgp n GLY 7 Ca 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 46.02 45.78 1wgp n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wgp n VAL 8 N 0.00 -0.40 0.00 1.61 0.24 -1.26 -4.65 118.33 113.87 1wgp n VAL 8 Ca 0.00 2.03 0.00 0.00 -2.04 0.00 0.00 64.34 64.33 1wgp n VAL 8 Cb 0.00 -3.09 0.00 0.00 -1.47 0.00 0.00 33.84 29.28 1wgp n VAL 8 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wgp n ARG 9 N -5.31 0.00 -1.71 7.34 0.63 -1.26 -1.65 116.66 114.70 1wgp n ARG 9 Ca 0.28 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.16 1wgp n ARG 9 Cb 0.94 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.86 1wgp n ARG 9 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1wgp n ARG 10 N 0.00 0.59 -2.58 -0.14 0.63 -1.26 -5.12 116.66 108.78 1wgp n ARG 10 Ca 0.00 -1.07 -0.42 0.00 -0.92 0.00 0.00 57.85 55.44 1wgp n ARG 10 Cb 0.00 0.47 -0.03 0.00 0.45 0.00 0.00 32.46 33.35 1wgp n ARG 10 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wgp s VAL 11 N 0.06 4.50 0.22 5.15 1.01 -0.66 -4.93 120.40 125.75 1wgp s VAL 11 Ca 0.04 1.80 0.09 0.00 0.00 0.00 0.00 61.98 63.91 1wgp s VAL 11 Cb 0.19 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1wgp s VAL 11 CO -0.06 0.12 1.50 1.55 0.00 0.00 0.00 175.10 178.21 1wgp h PRO 12 N 6.87 0.00 -0.46 2.72 0.13 -1.97 -3.32 132.00 135.97 1wgp h PRO 12 Ca -0.40 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1wgp h PRO 12 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1wgp h PRO 12 CO 0.79 0.75 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.94 1wgp h LEU 13 N 0.00 -1.09 -4.56 1.56 3.38 -2.00 0.98 115.31 113.58 1wgp h LEU 13 Ca -0.01 0.16 -0.44 0.00 0.09 0.00 0.00 57.88 57.69 1wgp h LEU 13 Cb 1.33 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1wgp h LEU 13 CO 0.10 -0.14 1.86 0.49 0.09 0.00 0.00 178.44 180.85 1wgp n PHE 14 N -4.15 1.27 -0.07 1.13 3.72 -1.25 -4.37 117.46 113.73 1wgp n PHE 14 Ca 0.00 -2.31 -0.12 0.00 -0.05 0.00 0.00 57.45 54.98 1wgp n PHE 14 Cb 0.14 -2.05 -0.09 0.00 -0.94 0.00 0.00 39.48 36.55 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 4.14 0.00 -0.04 -1.08 4.39 -1.00 -3.35 114.58 117.63 1wgp h GLU 15 Ca 0.55 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 60.10 1wgp h GLU 15 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1wgp h GLU 15 CO 1.06 0.71 -0.63 -2.95 -1.16 0.00 0.00 179.01 176.04 1wgp h ASN 16 N -1.00 0.18 -2.37 1.42 -1.07 -1.82 -3.45 115.58 107.47 1wgp h ASN 16 Ca -0.08 -0.11 -0.53 0.00 0.07 0.00 0.00 56.30 55.65 1wgp h ASN 16 Cb 0.82 -0.05 0.23 0.00 -2.07 0.00 0.00 38.32 37.25 1wgp h ASN 16 CO -0.05 0.76 -1.50 0.23 0.07 0.00 0.00 177.43 176.95 1wgp n MET 17 N -3.84 -0.19 -4.20 4.14 2.81 -1.26 -4.99 117.12 109.60 1wgp n MET 17 Ca -0.02 -0.04 -0.25 0.00 -1.81 0.00 0.00 57.70 55.58 1wgp n MET 17 Cb 0.63 -1.32 -0.07 0.00 -0.71 0.00 0.00 33.22 31.76 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 -1.37 4.95 0.14 7.83 2.15 -1.26 -4.97 116.67 124.13 1wgp s ASP 18 Ca 0.46 -0.40 -0.32 0.00 0.43 0.00 0.00 52.55 52.72 1wgp s ASP 18 Cb -0.16 -1.10 -0.08 0.00 -0.30 0.00 0.00 42.92 41.28 1wgp s ASP 18 CO 0.75 0.04 1.56 -0.33 -0.17 0.00 0.00 175.17 177.02 1wgp h GLU 19 N 2.20 -0.39 -0.90 4.34 5.08 -1.97 0.63 114.58 123.56 1wgp h GLU 19 Ca -0.47 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1wgp h GLU 19 Cb 1.22 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 1wgp h GLU 19 CO 0.60 -0.26 0.61 0.00 -1.00 0.00 0.00 179.01 178.95 1wgp h ARG 20 N -0.41 0.28 -0.10 2.33 2.47 -1.99 0.74 114.38 117.70 1wgp h ARG 20 Ca 0.08 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.63 1wgp h ARG 20 Cb 0.61 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1wgp h ARG 20 CO -0.57 0.19 -0.62 1.25 0.56 0.00 0.00 179.97 180.78 1wgp h LEU 21 N 0.29 0.42 0.65 3.04 5.85 -0.42 -1.26 115.31 123.88 1wgp h LEU 21 Ca 0.46 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1wgp h LEU 21 Cb 1.32 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.24 1wgp h LEU 21 CO -0.14 0.93 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.51 1wgp h LEU 22 N 0.27 -0.74 -0.74 2.25 -0.00 0.53 0.46 115.31 117.34 1wgp h LEU 22 Ca -0.01 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.03 1wgp h LEU 22 Cb 1.15 0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 41.91 1wgp h LEU 22 CO 0.10 -0.43 0.30 -0.78 -0.00 0.00 0.00 178.44 177.64 1wgp h ASP 23 N -1.06 0.30 -0.08 -0.43 3.58 -1.19 1.04 116.42 118.59 1wgp h ASP 23 Ca -0.09 0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.50 1wgp h ASP 23 Cb 0.67 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 1wgp h ASP 23 CO 0.15 0.13 -0.17 0.00 -2.88 0.00 0.00 179.24 176.46 1wgp h ALA 24 N 1.52 -0.15 0.00 -0.78 0.00 -1.15 1.15 119.26 119.86 1wgp h ALA 24 Ca 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1wgp h ALA 24 Cb 0.58 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wgp h ALA 24 CO -0.38 -0.64 -0.08 0.82 0.00 0.00 0.00 179.25 178.97 1wgp h ILE 25 N -0.24 0.25 0.12 0.00 2.04 0.81 -2.42 117.51 118.06 1wgp h ILE 25 Ca 0.08 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1wgp h ILE 25 Cb 0.36 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1wgp h ILE 25 CO -0.22 0.08 -0.06 0.00 0.00 0.00 0.00 178.15 177.95 1wgp h GLU 27 N -0.87 0.00 -0.12 0.00 4.11 0.14 0.40 114.58 118.24 1wgp h GLU 27 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 1wgp h GLU 27 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1wgp h GLU 27 CO 0.03 0.00 -0.52 0.00 0.07 0.00 0.00 179.01 178.59 1wgp h ARG 28 N 0.00 0.34 -6.00 1.06 -0.00 -1.37 -3.44 114.38 104.97 1wgp h ARG 28 Ca 0.15 -0.20 -0.84 0.00 -0.50 0.00 0.00 59.98 58.59 1wgp h ARG 28 Cb 0.82 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.80 1wgp h ARG 28 CO -0.00 0.78 0.92 1.28 0.00 0.00 0.00 179.97 182.95 1wgp n LEU 29 N -3.95 1.09 -4.84 3.04 4.77 0.14 -4.81 117.00 112.44 1wgp n LEU 29 Ca -0.02 1.00 -0.38 0.00 -0.03 0.00 0.00 56.01 56.58 1wgp n LEU 29 Cb 0.56 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 1wgp n LEU 29 CO 0.44 -0.80 0.07 -0.75 -1.33 0.00 0.00 177.39 175.02 1wgp s LYS 30 N 4.09 3.86 -0.45 3.23 2.20 -0.35 -4.85 119.74 127.48 1wgp s LYS 30 Ca 1.10 0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 56.77 1wgp s LYS 30 Cb -1.48 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 31.64 1wgp s LYS 30 CO 0.76 0.70 1.43 -1.25 -0.36 0.00 0.00 175.35 176.62 1wgp s PRO 31 N -1.10 3.49 0.22 4.03 0.04 -1.26 -1.68 135.00 138.74 1wgp s PRO 31 Ca 0.23 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1wgp s PRO 31 Cb -0.16 -4.06 -0.00 0.00 0.04 0.00 0.00 34.50 30.32 1wgp s PRO 31 CO 0.12 -1.67 0.44 0.00 0.04 0.00 0.00 177.00 175.93 1wgp s LEU 33 N -2.99 1.46 -0.20 0.00 2.96 -1.26 -4.40 118.68 114.24 1wgp s LEU 33 Ca 0.20 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 1wgp s LEU 33 Cb 0.00 0.62 0.05 0.00 0.50 0.00 0.00 46.19 47.36 1wgp s LEU 33 CO 0.06 -0.79 -0.05 -0.36 -1.32 0.00 0.00 176.35 173.88 1wgp s PHE 34 N -4.02 2.06 0.00 5.38 0.08 -1.26 -5.07 117.98 115.15 1wgp s PHE 34 Ca 0.22 -1.44 0.00 0.00 0.12 0.00 0.00 56.93 55.83 1wgp s PHE 34 Cb 0.06 -1.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 1wgp s PHE 34 CO 0.02 -0.71 0.00 0.25 -0.10 0.00 0.00 175.22 174.68 1wgp n THR 35 N 4.77 0.00 -2.34 0.64 -2.24 -1.26 -3.30 114.28 110.55 1wgp n THR 35 Ca -0.12 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 1wgp n THR 35 Cb 0.46 -1.93 -0.03 0.00 -2.10 0.00 0.00 70.33 66.73 1wgp n THR 35 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wgp s GLU 36 N -2.45 4.19 -0.97 -0.78 -1.05 -1.26 -3.11 118.70 113.28 1wgp s GLU 36 Ca 0.00 1.82 -0.05 0.00 -0.15 0.00 0.00 54.97 56.60 1wgp s GLU 36 Cb 0.00 -2.78 0.01 0.00 -0.44 0.00 0.00 34.13 30.91 1wgp s GLU 36 CO 0.00 -0.19 0.60 1.63 0.95 0.00 0.00 175.26 178.25 1wgp n LYS 37 N 0.31 -4.31 -3.70 -4.83 5.02 -0.57 -4.99 118.16 105.08 1wgp n LYS 37 Ca 0.03 0.58 -0.38 0.00 -2.02 0.00 0.00 58.31 56.52 1wgp n LYS 37 Cb 0.46 -4.79 -0.12 0.00 -0.02 0.00 0.00 35.03 30.56 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 -3.01 5.35 -0.49 4.39 0.01 -1.18 -4.92 113.70 113.84 1wgp s SER 38 Ca 0.30 -0.64 -0.21 0.00 1.31 0.00 0.00 55.95 56.71 1wgp s SER 38 Cb -0.13 -1.94 0.04 0.00 0.21 0.00 0.00 66.02 64.20 1wgp s SER 38 CO 0.37 -0.20 0.70 -0.31 0.41 0.00 0.00 173.24 174.20 1wgp s TYR 39 N 1.55 3.00 -0.01 2.43 1.51 -1.26 -0.17 117.35 124.41 1wgp s TYR 39 Ca 0.03 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 1wgp s TYR 39 Cb -0.17 -3.57 -0.09 0.00 -0.11 0.00 0.00 41.96 38.01 1wgp s TYR 39 CO 0.04 -1.04 0.80 -0.07 -1.11 0.00 0.00 175.55 174.18 1wgp h LEU 40 N 9.96 -0.49 -8.69 -1.29 4.07 -1.90 -3.47 115.31 113.50 1wgp h LEU 40 Ca -0.26 0.02 -0.40 0.00 0.08 0.00 0.00 57.88 57.31 1wgp h LEU 40 Cb 1.09 0.13 -0.16 0.00 1.08 0.00 0.00 40.66 42.80 1wgp h LEU 40 CO 0.96 -0.19 -0.74 0.68 -1.08 0.00 0.00 178.44 178.08 1wgp s VAL 41 N -3.56 1.39 0.27 1.22 -7.23 -1.25 -5.02 120.40 106.21 1wgp s VAL 41 Ca -0.08 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1wgp s VAL 41 Cb 0.01 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 1wgp s VAL 41 CO 0.25 -0.56 0.11 -0.13 -0.31 0.00 0.00 175.10 174.47 1wgp s ARG 42 N -3.24 1.47 -0.44 4.82 0.52 -1.26 -2.12 118.95 118.70 1wgp s ARG 42 Ca 0.15 -1.81 -0.15 0.00 -0.52 0.00 0.00 55.73 53.40 1wgp s ARG 42 Cb -0.02 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.26 1wgp s ARG 42 CO 0.03 -0.34 0.34 -2.00 0.02 0.00 0.00 175.30 173.36 1wgp s GLU 43 N -3.98 2.97 0.00 3.54 2.56 -1.26 -3.99 118.70 118.54 1wgp s GLU 43 Ca 0.37 -1.15 0.00 0.00 0.00 0.00 0.00 54.97 54.19 1wgp s GLU 43 Cb 0.07 -4.04 0.00 0.00 2.00 0.00 0.00 34.13 32.16 1wgp s GLU 43 CO 0.15 -0.86 0.00 0.41 -0.56 0.00 0.00 175.26 174.39 1wgp n GLY 44 N 5.18 2.02 3.93 -1.50 0.00 -1.26 -5.04 105.19 108.52 1wgp n GLY 44 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1wgp n GLY 44 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wgp s ASP 45 N -1.77 6.36 0.93 1.61 -4.77 -1.26 -5.04 116.67 112.73 1wgp s ASP 45 Ca 0.00 0.25 -0.13 0.00 -3.30 0.00 0.00 52.55 49.38 1wgp s ASP 45 Cb 0.00 -1.95 0.15 0.00 -1.09 0.00 0.00 42.92 40.03 1wgp s ASP 45 CO 0.00 0.10 1.14 -2.16 0.70 0.00 0.00 175.17 174.95 1wgp s PRO 46 N -2.88 1.02 -0.32 2.11 0.04 -1.26 -3.52 135.00 130.19 1wgp s PRO 46 Ca 0.35 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 1wgp s PRO 46 Cb -0.12 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1wgp s PRO 46 CO 0.28 -2.27 0.06 0.08 0.04 0.00 0.00 177.00 175.19 1wgp s VAL 47 N -3.29 3.34 -0.10 -0.36 1.01 0.40 -4.80 120.40 116.60 1wgp s VAL 47 Ca 0.64 -1.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1wgp s VAL 47 Cb -0.14 -2.93 -0.28 0.00 0.00 0.00 0.00 36.38 33.03 1wgp s VAL 47 CO 0.53 -0.17 0.66 -1.13 0.00 0.00 0.00 175.10 174.99 1wgp h ASN 48 N 8.09 0.35 -4.93 3.32 -1.24 -1.95 -3.37 115.58 115.86 1wgp h ASN 48 Ca -0.21 -0.87 -0.20 0.00 0.71 0.00 0.00 56.30 55.72 1wgp h ASN 48 Cb 1.07 -0.11 -0.20 0.00 0.73 0.00 0.00 38.32 39.80 1wgp h ASN 48 CO 0.57 1.48 -0.71 -1.83 -1.29 0.00 0.00 177.43 175.66 1wgp s GLU 49 N -2.43 0.41 0.01 6.67 1.03 -1.26 -2.68 118.70 120.46 1wgp s GLU 49 Ca -0.18 -0.73 -0.05 0.00 0.03 0.00 0.00 54.97 54.04 1wgp s GLU 49 Cb 0.03 -0.01 -0.04 0.00 -0.80 0.00 0.00 34.13 33.30 1wgp s GLU 49 CO 0.77 -0.02 0.24 1.41 -1.33 0.00 0.00 175.26 176.32 1wgp s MET 50 N -1.77 3.52 -0.18 -4.83 1.75 0.51 -4.85 119.30 113.45 1wgp s MET 50 Ca -0.11 -0.19 -0.02 0.00 -1.25 0.00 0.00 55.69 54.11 1wgp s MET 50 Cb -0.08 -3.07 -0.01 0.00 2.84 0.00 0.00 34.83 34.51 1wgp s MET 50 CO -0.01 0.65 -0.09 -0.51 -0.65 0.00 0.00 175.02 174.41 1wgp s LEU 51 N -1.90 2.79 -0.47 4.11 2.01 -1.26 0.00 118.68 123.96 1wgp s LEU 51 Ca 0.28 -0.37 -0.10 0.00 0.01 0.00 0.00 54.13 53.95 1wgp s LEU 51 Cb -0.13 -1.67 0.11 0.00 0.01 0.00 0.00 46.19 44.51 1wgp s LEU 51 CO 0.18 0.07 0.35 -0.36 1.01 0.00 0.00 176.35 177.60 1wgp s PHE 52 N 0.93 3.37 0.04 0.29 0.40 -1.07 -3.62 117.98 118.31 1wgp s PHE 52 Ca -0.02 -1.67 -0.33 0.00 -0.60 0.00 0.00 56.93 54.32 1wgp s PHE 52 Cb -0.15 -3.41 -0.11 0.00 0.51 0.00 0.00 43.02 39.86 1wgp s PHE 52 CO -0.00 -0.96 1.83 -0.89 0.70 0.00 0.00 175.22 175.90 1wgp n ILE 53 N 4.97 0.44 -0.13 0.64 2.08 -1.26 -3.64 119.36 122.47 1wgp n ILE 53 Ca -0.09 -0.08 -0.26 0.00 0.56 0.00 0.00 62.75 62.88 1wgp n ILE 53 Cb 0.41 -1.95 -0.10 0.00 -0.75 0.00 0.00 39.64 37.25 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 4.77 1.45 -3.15 1.39 2.08 -1.12 -4.48 119.36 120.30 1wgp n ILE 54 Ca 0.20 -0.41 0.05 0.00 0.56 0.00 0.00 62.75 63.15 1wgp n ILE 54 Cb 0.33 -1.76 -0.01 0.00 -0.75 0.00 0.00 39.64 37.46 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 -2.49 0.39 0.00 0.38 3.52 -0.90 -4.73 118.95 115.12 1wgp s ARG 55 Ca -0.36 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1wgp s ARG 55 Cb 0.13 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1wgp s ARG 55 CO 0.49 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1wgp n GLY 56 N 5.35 -1.03 3.21 8.12 0.00 -1.26 -3.13 105.19 116.46 1wgp n GLY 56 Ca 0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1wgp n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgp s ARG 57 N -0.48 0.96 0.29 1.61 1.81 -1.26 -4.47 118.95 117.41 1wgp s ARG 57 Ca 0.00 -1.32 -0.20 0.00 -1.72 0.00 0.00 55.73 52.49 1wgp s ARG 57 Cb 0.00 -0.56 0.02 0.00 -0.45 0.00 0.00 34.95 33.96 1wgp s ARG 57 CO 0.00 0.07 0.71 -0.51 -0.68 0.00 0.00 175.30 174.90 1wgp s LEU 58 N -2.85 -0.18 -0.14 2.53 1.02 -1.25 -4.46 118.68 113.34 1wgp s LEU 58 Ca 0.12 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.57 1wgp s LEU 58 Cb 0.00 2.68 0.02 0.00 0.02 0.00 0.00 46.19 48.91 1wgp s LEU 58 CO -0.00 -1.38 -0.14 -1.83 0.02 0.00 0.00 176.35 173.01 1wgp s GLU 59 N -3.71 2.28 -0.17 1.70 -1.05 -1.07 -2.88 118.70 113.81 1wgp s GLU 59 Ca 0.12 -0.56 -0.14 0.00 -0.15 0.00 0.00 54.97 54.25 1wgp s GLU 59 Cb -0.06 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.52 1wgp s GLU 59 CO 0.08 -0.21 0.29 0.45 0.95 0.00 0.00 175.26 176.83 1wgp s SER 60 N 1.40 6.40 0.02 0.83 0.15 0.92 -2.79 113.70 120.64 1wgp s SER 60 Ca 0.03 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1wgp s SER 60 Cb -0.13 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1wgp s SER 60 CO -0.09 0.07 -0.05 -0.69 1.20 0.00 0.00 173.24 173.68 1wgp s VAL 61 N 0.64 0.33 0.22 4.45 1.01 -0.26 0.10 120.40 126.90 1wgp s VAL 61 Ca 0.16 -0.77 0.12 0.00 0.00 0.00 0.00 61.98 61.49 1wgp s VAL 61 Cb -0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1wgp s VAL 61 CO 0.04 -0.29 -0.22 0.28 0.00 0.00 0.00 175.10 174.91 1wgp s THR 62 N -1.04 2.41 0.07 3.92 -1.32 -1.23 0.76 115.64 119.20 1wgp s THR 62 Ca -0.09 -2.17 0.00 0.00 -1.21 0.00 0.00 61.69 58.23 1wgp s THR 62 Cb -0.08 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.72 1wgp s THR 62 CO -0.00 -0.22 0.00 0.35 -2.21 0.00 0.00 174.62 172.54 1wgp n THR 63 N -0.06 0.72 -2.30 5.08 -2.24 -1.26 -4.08 114.28 110.13 1wgp n THR 63 Ca -0.10 0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1wgp n THR 63 Cb 0.57 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.27 1wgp n THR 63 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wgp s ASP 64 N -5.58 6.99 0.00 3.42 1.01 -1.26 -4.68 116.67 116.57 1wgp s ASP 64 Ca 0.00 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.53 1wgp s ASP 64 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1wgp s ASP 64 CO 0.00 -0.47 0.00 0.61 0.21 0.00 0.00 175.17 175.52 1wgp n GLY 65 N 2.57 5.27 0.00 0.21 0.00 -1.26 -5.09 105.19 106.88 1wgp n GLY 65 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.68 0.93 -0.02 0.00 -1.26 -5.02 105.19 100.50 1wgp n GLY 66 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.05 -2.25 1.61 0.63 -1.26 -5.04 116.66 110.40 1wgp n ARG 67 Ca 0.00 0.02 -0.38 0.00 -0.92 0.00 0.00 57.85 56.58 1wgp n ARG 67 Cb 0.00 -0.59 -0.01 0.00 0.45 0.00 0.00 32.46 32.31 1wgp n ARG 67 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wgp s SER 68 N -5.26 6.31 -0.50 6.15 0.01 -1.26 -4.98 113.70 114.17 1wgp s SER 68 Ca -0.03 2.36 -0.20 0.00 1.31 0.00 0.00 55.95 59.38 1wgp s SER 68 Cb 0.01 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.68 1wgp s SER 68 CO 0.04 -0.82 0.67 -0.83 0.41 0.00 0.00 173.24 172.70 1wgp s GLY 69 N -1.21 1.72 0.07 3.44 0.00 -1.26 -4.79 107.32 105.29 1wgp s GLY 69 Ca 0.60 -1.56 -0.05 0.00 0.00 0.00 0.00 44.72 43.71 1wgp s GLY 69 CO 0.38 1.55 0.10 -0.12 0.00 0.00 0.00 173.10 175.01 1wgp s PHE 70 N 2.83 0.30 -0.29 1.90 5.36 -1.26 -5.14 117.98 121.68 1wgp s PHE 70 Ca 0.19 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.42 1wgp s PHE 70 Cb -0.17 -0.19 0.08 0.00 -0.34 0.00 0.00 43.02 42.39 1wgp s PHE 70 CO 0.14 -0.47 -0.05 0.71 -1.46 0.00 0.00 175.22 174.10 1wgp s TYR 71 N -3.81 3.44 -0.80 10.12 1.51 -1.26 -4.65 117.35 121.90 1wgp s TYR 71 Ca 0.05 -2.58 -0.23 0.00 -1.01 0.00 0.00 57.07 53.30 1wgp s TYR 71 Cb 0.06 -2.30 0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1wgp s TYR 71 CO -0.10 -0.91 1.17 -0.80 -1.11 0.00 0.00 175.55 173.80 1wgp s ASN 72 N 1.03 6.31 0.48 2.29 0.01 -1.26 -4.89 114.94 118.91 1wgp s ASN 72 Ca -0.01 -1.13 -0.19 0.00 -0.71 0.00 0.00 52.86 50.82 1wgp s ASN 72 Cb -0.20 -2.48 -0.09 0.00 0.41 0.00 0.00 41.25 38.89 1wgp s ASN 72 CO -0.06 -1.49 0.98 -0.60 -1.51 0.00 0.00 177.10 174.42 1wgp s ARG 73 N 4.43 4.02 0.32 -0.60 3.52 -1.26 -3.50 118.95 125.88 1wgp s ARG 73 Ca 0.32 1.10 -0.16 0.00 -0.13 0.00 0.00 55.73 56.86 1wgp s ARG 73 Cb -0.09 -2.14 0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1wgp s ARG 73 CO 0.04 -0.21 0.69 0.45 -0.81 0.00 0.00 175.30 175.46 1wgp s SER 74 N -2.48 -0.05 0.09 -2.12 0.15 0.29 -4.97 113.70 104.61 1wgp s SER 74 Ca 0.62 -0.91 0.08 0.00 0.70 0.00 0.00 55.95 56.43 1wgp s SER 74 Cb -0.11 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1wgp s SER 74 CO 0.21 -1.44 -0.21 -0.22 1.20 0.00 0.00 173.24 172.79 1wgp s LEU 75 N -3.01 2.28 -0.27 3.45 2.96 -1.26 -0.05 118.68 122.78 1wgp s LEU 75 Ca 0.16 -0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1wgp s LEU 75 Cb -0.04 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.78 1wgp s LEU 75 CO 0.10 0.07 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.43 1wgp s LEU 76 N -1.82 3.49 0.00 -0.68 1.43 -1.14 -4.85 118.68 115.11 1wgp s LEU 76 Ca 0.06 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.23 1wgp s LEU 76 Cb -0.10 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.49 1wgp s LEU 76 CO 0.04 -0.16 0.60 0.29 0.23 0.00 0.00 176.35 177.34 1wgp n LYS 77 N 4.74 -1.09 -2.55 1.70 4.76 -1.26 -3.96 118.16 120.49 1wgp n LYS 77 Ca -0.15 -0.93 -0.43 0.00 -2.87 0.00 0.00 58.31 53.93 1wgp n LYS 77 Cb 0.47 -0.70 -0.02 0.00 -1.84 0.00 0.00 35.03 32.94 1wgp n LYS 77 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wgp s GLU 78 N -4.32 4.26 0.00 1.97 2.02 -1.26 -3.13 118.70 118.24 1wgp s GLU 78 Ca 0.35 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.85 1wgp s GLU 78 Cb -0.02 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1wgp s GLU 78 CO 0.25 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1wgp n GLY 79 N 3.43 1.15 3.81 -1.39 0.00 -1.26 -5.11 105.19 105.83 1wgp n GLY 79 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.16 5.60 0.42 1.61 2.15 -1.18 -4.96 116.67 119.15 1wgp s ASP 80 Ca 0.00 1.70 0.03 0.00 0.43 0.00 0.00 52.55 54.72 1wgp s ASP 80 Cb 0.00 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1wgp s ASP 80 CO 0.00 -1.29 0.09 0.72 -0.17 0.00 0.00 175.17 174.52 1wgp s PHE 81 N -2.77 1.85 0.21 -5.34 -0.12 -1.26 -4.08 117.98 106.47 1wgp s PHE 81 Ca 0.60 -1.15 0.04 0.00 -0.05 0.00 0.00 56.93 56.37 1wgp s PHE 81 Cb -0.15 -1.29 -0.05 0.00 -0.63 0.00 0.00 43.02 40.90 1wgp s PHE 81 CO 0.46 -0.12 -0.02 0.00 -0.05 0.00 0.00 175.22 175.49 1wgp n GLY 83 N -0.37 -0.23 0.06 0.00 0.00 -1.26 -4.40 105.19 99.00 1wgp n GLY 83 Ca -0.06 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1wgp n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wgp n ASP 84 N -2.52 0.28 -0.04 1.61 5.75 -1.26 -2.17 116.55 118.21 1wgp n ASP 84 Ca -0.12 0.58 0.07 0.00 -0.01 0.00 0.00 54.79 55.31 1wgp n ASP 84 Cb 0.56 -0.64 0.45 0.00 -1.03 0.00 0.00 41.12 40.46 1wgp n ASP 84 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1wgp h GLU 85 N 0.00 0.49 0.27 0.11 4.39 -1.90 -2.35 114.58 115.58 1wgp h GLU 85 Ca 0.00 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1wgp h GLU 85 Cb 0.21 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1wgp h GLU 85 CO 0.00 0.32 -0.39 1.25 -1.16 0.00 0.00 179.01 179.03 1wgp h LEU 86 N 0.50 -1.10 -0.86 1.33 5.85 -1.80 0.98 115.31 120.21 1wgp h LEU 86 Ca 0.21 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.19 1wgp h LEU 86 Cb 0.19 0.39 -0.16 0.00 0.37 0.00 0.00 40.66 41.45 1wgp h LEU 86 CO -0.05 -0.51 -0.28 0.25 -0.34 0.00 0.00 178.44 177.51 1wgp h LEU 87 N -0.72 -1.02 -0.45 2.25 5.85 -1.63 0.67 115.31 120.26 1wgp h LEU 87 Ca -0.01 0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1wgp h LEU 87 Cb 0.69 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1wgp h LEU 87 CO -0.14 -0.29 0.00 0.74 -0.34 0.00 0.00 178.44 178.41 1wgp h THR 88 N -0.03 1.26 -0.22 1.05 2.02 -1.30 -1.98 112.91 113.72 1wgp h THR 88 Ca 0.38 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.57 1wgp h THR 88 Cb 0.62 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 1wgp h THR 88 CO -0.89 0.36 -0.41 -0.25 0.37 0.00 0.00 175.52 174.70 1wgp h TRP 89 N 0.63 -1.16 0.21 3.16 7.01 0.65 1.29 115.95 127.74 1wgp h TRP 89 Ca 0.13 0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.19 1wgp h TRP 89 Cb 0.49 0.54 -0.04 0.00 -2.10 0.00 0.00 29.16 28.05 1wgp h TRP 89 CO 0.04 -0.45 -0.47 0.00 -2.79 0.00 0.00 178.44 174.77 1wgp h ALA 90 N 0.28 -0.90 -0.22 2.65 0.00 -0.34 0.32 119.26 121.05 1wgp h ALA 90 Ca 0.10 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1wgp h ALA 90 Cb 0.60 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wgp h ALA 90 CO -0.45 -1.07 0.36 -0.07 0.00 0.00 0.00 179.25 178.02 1wgp h LEU 91 N -0.76 0.00 -9.00 0.00 4.07 -0.53 -3.39 115.31 105.70 1wgp h LEU 91 Ca -0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 1wgp h LEU 91 Cb 0.74 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.44 1wgp h LEU 91 CO -0.21 0.00 1.02 -0.62 -1.08 0.00 0.00 178.44 177.55 1wgp s ASP 92 N -5.07 6.59 0.19 -0.43 2.15 0.44 -4.88 116.67 115.67 1wgp s ASP 92 Ca -0.04 1.40 0.05 0.00 0.43 0.00 0.00 52.55 54.39 1wgp s ASP 92 Cb 0.13 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.31 1wgp s ASP 92 CO 0.45 -1.11 1.45 1.55 -0.17 0.00 0.00 175.17 177.34 1wgp h PRO 93 N 9.69 0.14 -0.96 4.34 0.13 -1.80 -3.14 132.00 140.41 1wgp h PRO 93 Ca -0.29 -0.14 0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1wgp h PRO 93 Cb 1.12 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1wgp h PRO 93 CO 1.02 0.85 0.61 0.87 -0.23 0.00 0.00 178.00 181.13 1wgp h LYS 94 N 0.09 1.07 -6.92 0.86 1.79 -1.91 -3.42 116.57 108.13 1wgp h LYS 94 Ca -0.03 -0.06 -0.51 0.00 -2.18 0.00 0.00 60.65 57.87 1wgp h LYS 94 Cb 1.38 -0.24 0.21 0.00 -1.58 0.00 0.00 32.23 32.00 1wgp h LYS 94 CO 0.11 0.71 -0.40 0.43 -1.08 0.00 0.00 179.45 179.23 1wgp n SER 95 N -4.55 -1.48 0.11 0.86 7.64 -1.19 -4.95 113.62 110.07 1wgp n SER 95 Ca 0.15 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wgp n SER 95 Cb 0.20 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 1.22 -0.67 1.98 0.23 0.00 -1.26 -5.05 105.19 101.64 1wgp n GLY 96 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1wgp n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgp n SER 97 N -3.11 -0.02 -4.34 1.61 2.88 -1.26 -5.05 113.62 104.34 1wgp n SER 97 Ca 0.00 0.06 -0.54 0.00 -1.33 0.00 0.00 58.87 57.06 1wgp n SER 97 Cb 0.00 0.05 -0.12 0.00 -0.75 0.00 0.00 64.21 63.39 1wgp n SER 97 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wgp n ASN 98 N -2.64 0.84 -4.73 -3.46 6.94 -1.26 -4.84 115.26 106.11 1wgp n ASN 98 Ca 0.00 0.51 -0.32 0.00 -0.02 0.00 0.00 54.58 54.74 1wgp n ASN 98 Cb 0.01 -0.96 0.10 0.00 -2.36 0.00 0.00 39.78 36.57 1wgp n ASN 98 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1wgp s LEU 99 N 6.99 3.14 0.92 -4.53 1.43 -1.26 -5.01 118.68 120.36 1wgp s LEU 99 Ca 1.22 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 56.31 1wgp s LEU 99 Cb -1.34 -4.56 0.14 0.00 0.03 0.00 0.00 46.19 40.46 1wgp s LEU 99 CO 0.59 -2.30 1.14 -2.16 0.23 0.00 0.00 176.35 173.85 1wgp s PRO 100 N -4.37 1.10 -0.07 1.29 0.04 -1.26 -4.64 135.00 127.09 1wgp s PRO 100 Ca 0.68 0.27 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1wgp s PRO 100 Cb -0.23 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1wgp s PRO 100 CO 0.50 -2.22 -0.24 -1.54 0.04 0.00 0.00 177.00 173.54 1wgp s SER 101 N -4.04 2.96 1.03 6.66 1.04 -1.26 0.15 113.70 120.24 1wgp s SER 101 Ca 0.64 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 56.44 1wgp s SER 101 Cb -0.15 -0.95 0.16 0.00 0.10 0.00 0.00 66.02 65.18 1wgp s SER 101 CO 0.53 0.21 0.77 -0.24 0.98 0.00 0.00 173.24 175.49 1wgp n SER 102 N 3.12 -1.22 -0.00 7.02 2.88 -1.23 -4.89 113.62 119.29 1wgp n SER 102 Ca -0.18 0.15 0.06 0.00 -1.33 0.00 0.00 58.87 57.57 1wgp n SER 102 Cb 0.52 -1.27 -0.08 0.00 -0.75 0.00 0.00 64.21 62.63 1wgp n SER 102 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1wgp n THR 103 N -4.36 0.00 -3.57 2.46 5.66 -1.26 -4.69 114.28 108.52 1wgp n THR 103 Ca 0.06 -0.24 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 1wgp n THR 103 Cb 0.54 0.72 -0.03 0.00 -1.55 0.00 0.00 70.33 70.01 1wgp n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wgp s ARG 104 N -2.41 1.21 -0.37 1.09 3.03 -1.26 -4.91 118.95 115.33 1wgp s ARG 104 Ca 0.01 -0.65 -0.14 0.00 2.03 0.00 0.00 55.73 56.99 1wgp s ARG 104 Cb 0.09 0.53 -0.00 0.00 -1.03 0.00 0.00 34.95 34.53 1wgp s ARG 104 CO 0.51 -0.51 0.27 0.99 -1.13 0.00 0.00 175.30 175.44 1wgp s THR 105 N -3.80 5.27 0.12 4.99 2.01 0.23 -4.14 115.64 120.33 1wgp s THR 105 Ca 0.03 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1wgp s THR 105 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1wgp s THR 105 CO -0.10 -0.13 0.05 -0.69 -0.69 0.00 0.00 174.62 173.06 1wgp s VAL 106 N 1.73 4.21 -0.00 3.82 1.01 -0.90 -1.10 120.40 129.15 1wgp s VAL 106 Ca 0.06 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1wgp s VAL 106 Cb -0.18 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1wgp s VAL 106 CO 0.10 0.02 0.22 -0.75 0.00 0.00 0.00 175.10 174.69 1wgp s LYS 107 N -2.65 0.58 -0.41 2.72 2.36 -1.12 -2.80 119.74 118.42 1wgp s LYS 107 Ca 0.28 -0.31 -0.21 0.00 -2.55 0.00 0.00 55.97 53.18 1wgp s LYS 107 Cb -0.11 0.25 0.02 0.00 -1.05 0.00 0.00 37.83 36.94 1wgp s LYS 107 CO 0.21 -0.15 0.66 0.00 1.55 0.00 0.00 175.35 177.61 1wgp s ALA 108 N -1.39 3.38 -0.12 3.13 0.00 0.76 -2.58 121.76 124.94 1wgp s ALA 108 Ca -0.14 -1.04 0.17 0.00 0.00 0.00 0.00 51.96 50.95 1wgp s ALA 108 Cb -0.06 -3.27 -0.22 0.00 0.00 0.00 0.00 23.12 19.57 1wgp s ALA 108 CO 0.03 -1.62 0.50 1.28 0.00 0.00 0.00 175.76 175.94 1wgp n LEU 109 N 6.23 0.49 -4.27 0.00 4.32 -1.26 -1.52 117.00 120.99 1wgp n LEU 109 Ca -0.01 0.22 -0.15 0.00 -0.02 0.00 0.00 56.01 56.06 1wgp n LEU 109 Cb 0.48 0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 42.41 1wgp n LEU 109 CO 0.52 0.31 -0.34 0.28 -1.22 0.00 0.00 177.39 176.94 1wgp s THR 110 N -2.76 0.87 -0.35 -5.08 -1.32 -1.26 -4.85 115.64 100.89 1wgp s THR 110 Ca -0.06 -2.01 -0.42 0.00 -1.21 0.00 0.00 61.69 57.99 1wgp s THR 110 Cb 0.08 -2.14 -0.17 0.00 -1.51 0.00 0.00 72.50 68.76 1wgp s THR 110 CO 0.83 -0.48 1.71 1.21 -2.21 0.00 0.00 174.62 175.69 1wgp n GLU 111 N -0.29 0.79 -4.24 7.08 2.13 -1.26 -4.72 120.64 120.13 1wgp n GLU 111 Ca -0.07 0.29 -0.27 0.00 0.66 0.00 0.00 57.16 57.77 1wgp n GLU 111 Cb 0.63 -1.92 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 1wgp n GLU 111 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wgp s VAL 112 N 3.46 3.50 -0.22 6.31 1.01 -1.21 -4.46 120.40 128.80 1wgp s VAL 112 Ca 1.01 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1wgp s VAL 112 Cb -1.20 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 32.51 1wgp s VAL 112 CO 0.71 -0.10 0.13 -1.61 0.00 0.00 0.00 175.10 174.23 1wgp s GLU 113 N -2.85 0.13 0.33 2.72 0.41 -1.18 -4.14 118.70 114.11 1wgp s GLU 113 Ca 0.26 -0.18 -0.18 0.00 -0.41 0.00 0.00 54.97 54.46 1wgp s GLU 113 Cb -0.09 -1.49 0.04 0.00 -1.78 0.00 0.00 34.13 30.81 1wgp s GLU 113 CO 0.17 -0.79 0.77 0.00 -0.49 0.00 0.00 175.26 174.92 1wgp s ALA 114 N 2.16 -0.97 0.36 5.21 0.00 -1.26 -2.13 121.76 125.13 1wgp s ALA 114 Ca 0.05 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.54 1wgp s ALA 114 Cb -0.16 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1wgp s ALA 114 CO -0.19 -1.01 0.18 -0.06 0.00 0.00 0.00 175.76 174.68 1wgp s PHE 115 N -2.96 2.70 0.26 0.00 0.08 -1.24 -4.27 117.98 112.56 1wgp s PHE 115 Ca 0.14 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 56.83 1wgp s PHE 115 Cb -0.05 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1wgp s PHE 115 CO 0.09 0.26 0.24 0.00 -0.10 0.00 0.00 175.22 175.72 1wgp s ALA 116 N -2.45 3.69 -0.11 5.36 0.00 -0.68 -2.61 121.76 124.96 1wgp s ALA 116 Ca 0.39 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 1wgp s ALA 116 Cb -0.02 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.80 1wgp s ALA 116 CO 0.23 0.21 0.24 -1.17 0.00 0.00 0.00 175.76 175.27 1wgp s LEU 117 N -3.89 -0.08 0.22 0.00 1.98 0.10 -1.21 118.68 115.80 1wgp s LEU 117 Ca 0.35 0.52 -0.21 0.00 -2.89 0.00 0.00 54.13 51.90 1wgp s LEU 117 Cb -0.08 0.62 -0.08 0.00 0.66 0.00 0.00 46.19 47.31 1wgp s LEU 117 CO 0.26 -0.22 0.75 -0.51 -1.89 0.00 0.00 176.35 174.74 1wgp s ILE 118 N 2.11 4.50 0.02 6.68 2.07 -1.26 0.19 121.20 135.51 1wgp s ILE 118 Ca -0.01 1.42 -0.25 0.00 -1.41 0.00 0.00 60.65 60.40 1wgp s ILE 118 Cb -0.12 -3.93 -0.18 0.00 0.13 0.00 0.00 42.46 38.37 1wgp s ILE 118 CO -0.08 0.27 1.45 0.00 -1.91 0.00 0.00 174.94 174.66 1wgp h ALA 119 N 3.58 0.01 -0.30 1.50 0.00 -1.86 -1.93 119.26 120.26 1wgp h ALA 119 Ca -0.48 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.31 1wgp h ALA 119 Cb 1.20 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1wgp h ALA 119 CO 0.65 -0.33 -0.20 -0.44 0.00 0.00 0.00 179.25 178.93 1wgp h ASP 120 N -0.29 -0.72 -0.97 0.00 3.32 -1.94 1.20 116.42 117.03 1wgp h ASP 120 Ca 0.00 0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.34 1wgp h ASP 120 Cb 0.31 0.31 -0.09 0.00 0.22 0.00 0.00 39.33 40.08 1wgp h ASP 120 CO 0.00 -0.09 0.61 -0.33 -1.72 0.00 0.00 179.24 177.71 1wgp h GLU 121 N -0.03 0.65 0.03 3.56 4.39 -1.98 0.31 114.58 121.51 1wgp h GLU 121 Ca 0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wgp h GLU 121 Cb 0.15 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1wgp h GLU 121 CO -0.30 0.43 -0.01 1.25 -1.16 0.00 0.00 179.01 179.22 1wgp h LEU 122 N 0.67 -0.03 -0.79 1.33 6.46 0.12 0.76 115.31 123.82 1wgp h LEU 122 Ca 0.53 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 58.47 1wgp h LEU 122 Cb 0.94 0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 40.74 1wgp h LEU 122 CO -0.29 -0.02 -0.04 0.50 -0.62 0.00 0.00 178.44 177.97 1wgp h LYS 123 N -0.04 0.07 0.04 1.25 3.64 0.15 1.45 116.57 123.12 1wgp h LYS 123 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wgp h LYS 123 Cb 0.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1wgp h LYS 123 CO 0.01 0.04 -0.17 0.35 -2.27 0.00 0.00 179.45 177.41 1wgp h PHE 124 N 0.07 -0.49 -0.65 1.91 3.04 -0.32 1.42 116.94 121.91 1wgp h PHE 124 Ca 0.43 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.46 1wgp h PHE 124 Cb 0.75 0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.43 1wgp h PHE 124 CO -0.48 -0.19 0.43 -0.24 -2.02 0.00 0.00 178.31 175.81 1wgp h VAL 125 N -0.24 0.99 0.72 1.41 3.04 0.15 1.04 116.25 123.36 1wgp h VAL 125 Ca -0.00 -0.22 -0.04 0.00 -1.01 0.00 0.00 66.70 65.44 1wgp h VAL 125 Cb 0.24 0.31 0.01 0.00 -2.01 0.00 0.00 31.29 29.84 1wgp h VAL 125 CO -0.09 0.11 -0.35 0.00 -1.01 0.00 0.00 177.57 176.24 1wgp h ALA 126 N 1.65 -1.23 -0.09 3.17 0.00 0.29 -2.04 119.26 121.01 1wgp h ALA 126 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wgp h ALA 126 Cb 0.31 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wgp h ALA 126 CO -0.09 -1.16 0.06 1.03 0.00 0.00 0.00 179.25 179.09 1wgp h SER 127 N -0.99 0.11 -0.97 0.00 0.87 0.23 0.37 113.55 113.16 1wgp h SER 127 Ca -0.10 -0.01 0.18 0.00 -1.23 0.00 0.00 61.79 60.63 1wgp h SER 127 Cb 0.74 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 62.50 1wgp h SER 127 CO 0.16 0.09 -0.29 0.00 -0.53 0.00 0.00 176.83 176.26 1wgp n GLN 128 N -5.02 -0.13 -0.01 2.24 1.13 0.35 -0.67 117.38 115.27 1wgp n GLN 128 Ca -0.05 1.51 -0.17 0.00 -1.94 0.00 0.00 57.00 56.35 1wgp n GLN 128 Cb 0.03 -2.26 -0.12 0.00 0.11 0.00 0.00 30.24 28.01 1wgp n GLN 128 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1wgp h PHE 129 N 0.00 0.36 -1.47 1.08 3.57 -1.05 -3.39 116.94 116.04 1wgp h PHE 129 Ca 0.43 -0.22 -0.66 0.00 3.53 0.00 0.00 57.97 61.04 1wgp h PHE 129 Cb 0.67 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.26 1wgp h PHE 129 CO -0.78 1.08 1.55 1.03 -2.23 0.00 0.00 178.31 178.96 1wgp s ARG 130 N -2.85 3.79 -0.69 1.11 0.52 0.13 -4.94 118.95 116.02 1wgp s ARG 130 Ca -0.15 -1.75 -0.27 0.00 -0.52 0.00 0.00 55.73 53.04 1wgp s ARG 130 Cb 0.01 -5.28 0.01 0.00 0.52 0.00 0.00 34.95 30.21 1wgp s ARG 130 CO 0.77 -2.06 1.56 0.50 0.02 0.00 0.00 175.30 176.09 1wgp s ARG 131 N 3.74 2.92 0.93 3.54 3.00 -1.19 -4.53 118.95 127.36 1wgp s ARG 131 Ca 0.45 0.15 -0.15 0.00 -1.00 0.00 0.00 55.73 55.17 1wgp s ARG 131 Cb -0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 34.95 30.58 1wgp s ARG 131 CO -0.03 -2.44 -0.19 -1.13 0.00 0.00 0.00 175.30 171.51 1wgp n SER 132 N 11.02 -3.99 -4.71 -2.12 3.41 -1.26 -4.82 113.62 111.14 1wgp n SER 132 Ca 0.12 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.60 1wgp n SER 132 Cb 0.50 -0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1wgp n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wgp s GLY 133 N -1.44 1.79 -1.11 5.00 0.00 -1.26 -4.88 107.32 105.42 1wgp s GLY 133 Ca 0.49 1.19 -0.18 0.00 0.00 0.00 0.00 44.72 46.23 1wgp s GLY 133 CO 0.74 2.51 2.09 -1.55 0.00 0.00 0.00 173.10 176.89 1wgp n PRO 134 N 4.24 2.18 0.03 2.90 -0.04 -1.26 -3.28 135.00 139.77 1wgp n PRO 134 Ca 0.13 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1wgp n PRO 134 Cb 0.41 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1wgp n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgp n SER 135 N 6.67 -0.57 -3.64 3.54 2.88 -1.26 -5.14 113.62 116.10 1wgp n SER 135 Ca 0.51 0.49 -0.06 0.00 -1.33 0.00 0.00 58.87 58.48 1wgp n SER 135 Cb 0.39 0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 64.68 1wgp n SER 135 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgp s SER 136 N -2.00 -0.56 0.00 -3.46 1.04 -1.21 -5.29 113.70 102.22 1wgp s SER 136 Ca 0.00 0.96 0.14 0.00 0.48 0.00 0.00 55.95 57.52 1wgp s SER 136 Cb 0.00 1.13 0.81 0.00 0.10 0.00 0.00 66.02 68.06 1wgp s SER 136 CO 0.00 -0.16 1.23 0.61 0.98 0.00 0.00 173.24 175.90