#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgv s SER 2 N 0.00 -0.24 -0.16 1.61 0.01 -1.26 -5.08 113.70 108.59 1wgv s SER 2 Ca 0.00 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 1wgv s SER 2 Cb 0.00 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.56 1wgv s SER 2 CO 0.00 -0.02 0.11 -0.24 0.41 0.00 0.00 173.24 173.50 1wgv n SER 3 N 3.15 -2.74 0.00 2.44 2.88 -1.26 -5.07 113.62 113.02 1wgv n SER 3 Ca 0.08 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1wgv n SER 3 Cb 0.64 -3.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.24 1wgv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgv n GLY 4 N 0.89 -1.85 3.42 0.46 0.00 -1.26 -5.16 105.19 101.70 1wgv n GLY 4 Ca -0.18 0.87 0.01 0.00 0.00 0.00 0.00 46.02 46.73 1wgv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgv s SER 5 N 0.00 -1.05 0.11 1.61 0.15 -1.26 -5.03 113.70 108.23 1wgv s SER 5 Ca 0.00 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1wgv s SER 5 Cb 0.00 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.38 1wgv s SER 5 CO 0.00 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 174.00 1wgv n SER 6 N 5.35 -0.97 0.00 5.45 2.88 -1.26 -5.14 113.62 119.93 1wgv n SER 6 Ca -0.08 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1wgv n SER 6 Cb 0.51 1.26 0.00 0.00 -0.75 0.00 0.00 64.21 65.22 1wgv n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgv n GLY 7 N -1.12 1.63 1.41 0.46 0.00 -1.26 -4.93 105.19 101.38 1wgv n GLY 7 Ca 0.00 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.92 1wgv n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wgv n GLN 8 N 14.00 -3.17 -0.96 1.61 7.27 -1.26 -4.81 117.38 130.06 1wgv n GLN 8 Ca 0.00 2.50 -0.33 0.00 0.07 0.00 0.00 57.00 59.24 1wgv n GLN 8 Cb 0.00 -3.74 0.13 0.00 2.41 0.00 0.00 30.24 29.04 1wgv n GLN 8 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1wgv n LYS 9 N -4.28 -0.05 -4.00 3.69 3.00 -1.26 -5.03 118.16 110.22 1wgv n LYS 9 Ca -0.07 0.05 -0.11 0.00 -0.00 0.00 0.00 58.31 58.18 1wgv n LYS 9 Cb 0.66 -2.26 -0.12 0.00 0.00 0.00 0.00 35.03 33.32 1wgv n LYS 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wgv s ASN 10 N -2.17 0.38 1.12 3.14 4.22 -1.26 -4.95 114.94 115.42 1wgv s ASN 10 Ca 0.68 -0.37 -0.19 0.00 -2.14 0.00 0.00 52.86 50.84 1wgv s ASN 10 Cb -0.27 0.05 0.26 0.00 1.28 0.00 0.00 41.25 42.57 1wgv s ASN 10 CO 0.56 -0.18 1.24 -2.16 -2.04 0.00 0.00 177.10 174.52 1wgv s PRO 11 N -1.06 -0.58 0.20 3.55 0.04 -1.26 -4.92 135.00 130.97 1wgv s PRO 11 Ca -0.10 -0.36 -0.23 0.00 0.04 0.00 0.00 61.00 60.36 1wgv s PRO 11 Cb -0.07 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1wgv s PRO 11 CO -0.00 -3.23 1.55 0.22 0.04 0.00 0.00 177.00 175.57 1wgv h ASP 12 N -2.23 -1.68 -2.89 6.66 3.58 -2.03 -3.33 116.42 114.50 1wgv h ASP 12 Ca -0.43 0.31 -0.57 0.00 0.42 0.00 0.00 57.03 56.76 1wgv h ASP 12 Cb 1.25 0.81 -0.03 0.00 1.72 0.00 0.00 39.33 43.08 1wgv h ASP 12 CO 0.31 -0.28 1.10 -0.94 -2.88 0.00 0.00 179.24 176.55 1wgv s SER 13 N -5.38 6.41 0.23 2.28 1.04 -1.26 -4.88 113.70 112.13 1wgv s SER 13 Ca -0.13 1.43 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 1wgv s SER 13 Cb 0.16 -2.53 0.32 0.00 0.10 0.00 0.00 66.02 64.07 1wgv s SER 13 CO 0.68 -1.26 1.38 0.00 0.98 0.00 0.00 173.24 175.02 1wgv n TYR 14 N 8.41 0.18 -3.15 5.02 9.36 -1.25 -4.34 117.16 131.39 1wgv n TYR 14 Ca 0.18 1.09 0.05 0.00 3.32 0.00 0.00 57.90 62.54 1wgv n TYR 14 Cb 0.46 -0.93 -0.00 0.00 -0.63 0.00 0.00 39.34 38.24 1wgv n TYR 14 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1wgv s ASN 15 N -5.27 -0.76 0.00 2.98 2.47 -1.26 -4.77 114.94 108.32 1wgv s ASN 15 Ca -0.13 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.35 1wgv s ASN 15 Cb 0.21 1.52 0.00 0.00 -1.45 0.00 0.00 41.25 41.54 1wgv s ASN 15 CO 0.66 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 174.51 1wgv n GLY 16 N 5.28 -0.52 3.33 1.21 0.00 -1.26 -4.62 105.19 108.60 1wgv n GLY 16 Ca 0.04 0.60 0.03 0.00 0.00 0.00 0.00 46.02 46.68 1wgv n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgv s ALA 17 N -1.00 -3.03 0.12 4.61 0.00 -1.17 -4.56 121.76 116.73 1wgv s ALA 17 Ca 0.00 1.89 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1wgv s ALA 17 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1wgv s ALA 17 CO 0.00 -0.82 0.10 1.33 0.00 0.00 0.00 175.76 176.37 1wgv n VAL 18 N 4.31 0.00 0.00 0.00 0.24 -1.26 -3.40 118.33 118.23 1wgv n VAL 18 Ca -0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1wgv n VAL 18 Cb 0.55 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 1wgv n VAL 18 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wgv n ARG 19 N -1.17 0.00 -2.31 7.34 5.12 -1.26 -4.96 116.66 119.43 1wgv n ARG 19 Ca 0.02 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.56 1wgv n ARG 19 Cb 0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.35 1wgv n ARG 19 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1wgv n GLU 20 N -0.31 2.63 0.00 5.56 0.00 -1.26 -3.46 120.64 123.79 1wgv n GLU 20 Ca 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 57.16 54.23 1wgv n GLU 20 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 31.44 27.91 1wgv n GLU 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1wgv n ASN 21 N 9.99 0.00 -3.64 4.31 5.15 -1.26 -5.13 115.26 124.68 1wgv n ASN 21 Ca 0.48 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.36 1wgv n ASN 21 Cb 0.45 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.63 1wgv n ASN 21 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1wgv s TYR 22 N 0.00 -0.94 0.25 1.20 -0.85 -1.22 -4.66 117.35 111.13 1wgv s TYR 22 Ca 0.00 2.01 -0.17 0.00 -0.52 0.00 0.00 57.07 58.39 1wgv s TYR 22 Cb 0.00 0.48 -0.08 0.00 0.38 0.00 0.00 41.96 42.74 1wgv s TYR 22 CO 0.00 -0.46 0.70 0.99 -1.52 0.00 0.00 175.55 175.26 1wgv s THR 23 N 1.16 4.65 0.21 -3.49 2.01 -1.06 -4.33 115.64 114.80 1wgv s THR 23 Ca -0.06 1.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.82 1wgv s THR 23 Cb -0.05 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1wgv s THR 23 CO -0.12 0.07 0.60 -1.66 -0.69 0.00 0.00 174.62 172.82 1wgv s TRP 24 N -1.68 -0.22 0.06 4.92 1.48 -1.22 -0.36 118.94 121.92 1wgv s TRP 24 Ca 0.46 -0.13 -0.16 0.00 -1.06 0.00 0.00 56.10 55.22 1wgv s TRP 24 Cb -0.14 0.52 0.03 0.00 -1.16 0.00 0.00 33.47 32.72 1wgv s TRP 24 CO 0.20 -1.00 0.36 -1.54 -4.06 0.00 0.00 176.95 170.90 1wgv s SER 25 N -2.86 -0.19 -0.14 -2.66 1.04 -0.99 -3.04 113.70 104.85 1wgv s SER 25 Ca 0.08 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 1wgv s SER 25 Cb -0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1wgv s SER 25 CO -0.02 -0.67 -0.03 -1.58 0.98 0.00 0.00 173.24 171.92 1wgv s GLN 26 N -2.72 3.54 0.52 4.02 0.74 -1.26 -2.96 119.66 121.53 1wgv s GLN 26 Ca -0.04 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.88 1wgv s GLN 26 Cb -0.00 -2.88 -0.00 0.00 1.10 0.00 0.00 33.01 31.22 1wgv s GLN 26 CO -0.04 0.33 0.06 -0.51 -0.55 0.00 0.00 175.29 174.58 1wgv s ASP 27 N 0.13 4.21 0.16 6.67 1.11 -0.55 -4.95 116.67 123.46 1wgv s ASP 27 Ca -0.01 -1.60 -0.29 0.00 0.18 0.00 0.00 52.55 50.83 1wgv s ASP 27 Cb -0.14 0.53 -0.04 0.00 1.07 0.00 0.00 42.92 44.34 1wgv s ASP 27 CO 0.03 -0.90 1.48 0.00 1.18 0.00 0.00 175.17 176.96 1wgv n TYR 28 N -1.34 -0.38 -2.98 4.23 9.36 -1.26 -3.78 117.16 121.01 1wgv n TYR 28 Ca -0.17 1.20 -0.16 0.00 3.32 0.00 0.00 57.90 62.10 1wgv n TYR 28 Cb 0.67 -0.60 -0.00 0.00 -0.63 0.00 0.00 39.34 38.77 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1wgv n THR 29 N -5.22 -0.28 0.00 2.97 5.66 -1.26 -4.98 114.28 111.17 1wgv n THR 29 Ca 0.03 -2.89 0.00 0.00 -3.05 0.00 0.00 64.05 58.14 1wgv n THR 29 Cb 0.26 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1wgv n THR 29 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1wgv n ASP 30 N 1.18 0.00 -4.36 1.09 5.75 -1.25 -4.73 116.55 114.23 1wgv n ASP 30 Ca 0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.72 1wgv n ASP 30 Cb 0.61 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.59 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1wgv s LEU 31 N 0.00 2.48 -0.23 -2.12 1.02 -1.19 -1.48 118.68 117.16 1wgv s LEU 31 Ca 0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 54.13 53.20 1wgv s LEU 31 Cb 0.00 -0.86 0.11 0.00 0.02 0.00 0.00 46.19 45.46 1wgv s LEU 31 CO 0.00 -0.04 0.27 -1.61 0.02 0.00 0.00 176.35 174.99 1wgv s GLU 32 N -3.06 0.25 -0.19 1.70 2.02 -1.16 -3.15 118.70 115.11 1wgv s GLU 32 Ca 0.20 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.35 1wgv s GLU 32 Cb -0.05 -0.96 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 1wgv s GLU 32 CO 0.08 -0.73 -0.08 0.54 0.02 0.00 0.00 175.26 175.09 1wgv s VAL 33 N 2.37 3.22 -0.18 2.63 0.11 -1.18 -2.34 120.40 125.03 1wgv s VAL 33 Ca 0.09 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1wgv s VAL 33 Cb -0.15 -2.42 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1wgv s VAL 33 CO -0.17 0.46 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.85 1wgv s ARG 34 N 1.10 3.37 -0.15 1.54 3.00 0.52 -2.75 118.95 125.58 1wgv s ARG 34 Ca 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 55.73 55.03 1wgv s ARG 34 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 34.95 31.93 1wgv s ARG 34 CO -0.01 -0.02 0.03 0.08 0.00 0.00 0.00 175.30 175.37 1wgv s VAL 35 N 0.98 4.49 0.22 3.52 1.01 -0.58 -2.57 120.40 127.47 1wgv s VAL 35 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1wgv s VAL 35 Cb -0.15 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 1wgv s VAL 35 CO -0.00 0.52 1.10 -2.16 0.00 0.00 0.00 175.10 174.55 1wgv s PRO 36 N -0.04 4.61 0.22 2.72 0.04 -1.26 0.19 135.00 141.48 1wgv s PRO 36 Ca 0.05 1.75 0.09 0.00 0.04 0.00 0.00 61.00 62.93 1wgv s PRO 36 Cb -0.12 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1wgv s PRO 36 CO 0.02 0.13 -0.17 0.14 0.04 0.00 0.00 177.00 177.15 1wgv s VAL 37 N -0.62 2.01 1.08 -0.36 -7.23 -1.01 -4.86 120.40 109.42 1wgv s VAL 37 Ca 0.47 -2.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.28 1wgv s VAL 37 Cb -0.30 -2.07 0.24 0.00 0.56 0.00 0.00 36.38 34.80 1wgv s VAL 37 CO 0.37 -0.45 1.22 -2.16 -0.31 0.00 0.00 175.10 173.78 1wgv s PRO 38 N -3.35 -0.28 -0.02 4.82 0.04 -1.26 -4.38 135.00 130.58 1wgv s PRO 38 Ca 0.23 -0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.08 1wgv s PRO 38 Cb -0.04 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.98 1wgv s PRO 38 CO 0.09 -3.05 1.09 1.63 0.04 0.00 0.00 177.00 176.80 1wgv n LYS 39 N -4.25 1.63 0.00 4.56 4.76 -1.26 -2.88 118.16 120.72 1wgv n LYS 39 Ca 0.14 -0.80 0.03 0.00 -2.87 0.00 0.00 58.31 54.82 1wgv n LYS 39 Cb 0.59 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.50 1wgv n LYS 39 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wgv n HIS 40 N 0.14 0.00 -3.53 2.13 1.44 -1.26 -4.83 115.22 109.31 1wgv n HIS 40 Ca 0.07 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.37 1wgv n HIS 40 Cb 0.26 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.26 1wgv n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wgv s VAL 41 N -0.98 4.87 0.00 0.61 1.01 -1.14 -4.81 120.40 119.96 1wgv s VAL 41 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1wgv s VAL 41 Cb 0.06 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1wgv s VAL 41 CO 0.16 -0.31 0.00 1.33 0.00 0.00 0.00 175.10 176.27 1wgv n VAL 42 N 5.07 0.00 -2.57 2.92 0.24 -1.26 -1.79 118.33 120.94 1wgv n VAL 42 Ca -0.11 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.87 1wgv n VAL 42 Cb 0.46 -0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 32.38 1wgv n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1wgv s LYS 43 N -1.66 3.98 0.08 7.34 1.02 -1.26 -4.27 119.74 124.97 1wgv s LYS 43 Ca 0.00 0.91 0.27 0.00 0.02 0.00 0.00 55.97 57.17 1wgv s LYS 43 Cb 0.00 -2.19 0.89 0.00 -0.52 0.00 0.00 37.83 36.00 1wgv s LYS 43 CO 0.00 -0.17 1.73 0.41 -0.92 0.00 0.00 175.35 176.40 1wgv n GLY 44 N -1.30 -1.52 0.08 -3.33 0.00 -1.26 -2.99 105.19 94.86 1wgv n GLY 44 Ca 0.06 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1wgv n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wgv n LYS 45 N -1.82 0.19 0.05 1.61 2.85 -1.26 -2.70 118.16 117.07 1wgv n LYS 45 Ca 0.06 0.16 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 1wgv n LYS 45 Cb 0.38 -1.72 0.35 0.00 -0.65 0.00 0.00 35.03 33.39 1wgv n LYS 45 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1wgv n GLN 46 N -2.05 0.18 -5.09 -1.58 6.02 -1.16 -4.79 117.38 108.90 1wgv n GLN 46 Ca 0.06 0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.85 1wgv n GLN 46 Cb 0.40 -1.66 -0.15 0.00 1.02 0.00 0.00 30.24 29.85 1wgv n GLN 46 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wgv s VAL 47 N -3.09 1.93 -0.14 5.09 -7.23 -1.10 0.19 120.40 116.06 1wgv s VAL 47 Ca 0.10 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1wgv s VAL 47 Cb 0.15 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1wgv s VAL 47 CO 0.64 0.47 0.07 -0.44 -0.31 0.00 0.00 175.10 175.54 1wgv s SER 48 N -0.76 5.80 -0.12 4.85 0.01 0.25 -4.92 113.70 118.81 1wgv s SER 48 Ca 0.10 0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.55 1wgv s SER 48 Cb -0.09 -1.87 0.05 0.00 0.21 0.00 0.00 66.02 64.32 1wgv s SER 48 CO -0.00 0.31 0.08 -0.69 0.41 0.00 0.00 173.24 173.34 1wgv s VAL 49 N -0.45 -0.06 -0.27 3.43 1.01 -1.25 -2.65 120.40 120.17 1wgv s VAL 49 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1wgv s VAL 49 Cb -0.12 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1wgv s VAL 49 CO 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.01 1wgv s ALA 50 N 2.13 2.85 -0.18 5.51 0.00 -1.11 -4.98 121.76 125.99 1wgv s ALA 50 Ca 0.03 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1wgv s ALA 50 Cb -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 1wgv s ALA 50 CO -0.07 -0.91 -0.10 -0.51 0.00 0.00 0.00 175.76 174.17 1wgv s LEU 51 N 1.38 2.71 0.06 0.00 1.43 -1.26 -3.11 118.68 119.89 1wgv s LEU 51 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1wgv s LEU 51 Cb -0.17 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1wgv s LEU 51 CO -0.01 0.05 0.00 -1.20 0.23 0.00 0.00 176.35 175.41 1wgv n SER 52 N 4.32 0.40 0.00 2.29 7.64 -1.25 -5.00 113.62 122.03 1wgv n SER 52 Ca -0.19 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1wgv n SER 52 Cb 0.51 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1wgv n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wgv n SER 53 N -2.95 0.00 -0.69 6.43 3.41 -1.26 -4.57 113.62 113.99 1wgv n SER 53 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1wgv n SER 53 Cb 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 1wgv n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgv n SER 54 N 0.00 1.91 -3.71 4.04 2.88 -1.26 -1.56 113.62 115.92 1wgv n SER 54 Ca 0.00 -3.89 -0.14 0.00 -1.33 0.00 0.00 58.87 53.51 1wgv n SER 54 Cb 0.00 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 62.86 1wgv n SER 54 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgv s SER 55 N -3.26 -0.32 0.02 -3.46 1.04 -1.26 0.59 113.70 107.05 1wgv s SER 55 Ca 0.39 0.34 -0.01 0.00 0.48 0.00 0.00 55.95 57.15 1wgv s SER 55 Cb 0.37 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 1wgv s SER 55 CO -0.06 -0.41 0.00 -0.51 0.98 0.00 0.00 173.24 173.23 1wgv s ILE 56 N -0.99 0.11 -0.08 -1.02 -1.16 -1.06 -3.74 121.20 113.25 1wgv s ILE 56 Ca -0.10 -0.92 -0.03 0.00 -0.51 0.00 0.00 60.65 59.09 1wgv s ILE 56 Cb -0.04 -0.36 0.04 0.00 0.61 0.00 0.00 42.46 42.72 1wgv s ILE 56 CO 0.04 -0.50 0.16 -0.60 -2.81 0.00 0.00 174.94 171.23 1wgv s ARG 57 N -1.58 0.08 -0.08 3.50 3.52 -1.18 -2.41 118.95 120.80 1wgv s ARG 57 Ca -0.15 0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1wgv s ARG 57 Cb -0.09 -0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.12 1wgv s ARG 57 CO -0.01 -0.23 -0.03 0.08 -0.81 0.00 0.00 175.30 174.30 1wgv s VAL 58 N 1.68 0.57 -0.13 7.11 1.01 0.50 -2.76 120.40 128.38 1wgv s VAL 58 Ca -0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1wgv s VAL 58 Cb -0.12 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.63 1wgv s VAL 58 CO -0.06 0.28 0.36 0.00 0.00 0.00 0.00 175.10 175.68 1wgv s ALA 59 N 1.69 -0.90 -0.05 5.51 0.00 -1.08 -1.08 121.76 125.85 1wgv s ALA 59 Ca 0.02 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1wgv s ALA 59 Cb -0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1wgv s ALA 59 CO -0.05 -0.17 -0.20 0.00 0.00 0.00 0.00 175.76 175.34 1wgv s MET 60 N 0.15 2.47 0.32 0.00 0.23 0.16 0.84 119.30 123.47 1wgv s MET 60 Ca -0.00 -0.80 -0.29 0.00 -1.03 0.00 0.00 55.69 53.57 1wgv s MET 60 Cb -0.03 -2.26 -0.10 0.00 -1.53 0.00 0.00 34.83 30.91 1wgv s MET 60 CO 0.01 0.53 1.34 -0.51 -2.03 0.00 0.00 175.02 174.35 1wgv s LEU 61 N -0.50 4.41 0.00 0.18 1.43 0.51 -0.33 118.68 124.38 1wgv s LEU 61 Ca 0.06 2.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.91 1wgv s LEU 61 Cb -0.11 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1wgv s LEU 61 CO 0.01 -0.58 0.29 -0.62 0.23 0.00 0.00 176.35 175.68 1wgv n GLU 62 N 1.02 0.94 0.25 1.70 -0.58 0.49 -4.85 120.64 119.61 1wgv n GLU 62 Ca 0.01 -1.42 0.16 0.00 -0.42 0.00 0.00 57.16 55.49 1wgv n GLU 62 Cb 0.41 -0.01 0.53 0.00 -0.57 0.00 0.00 31.44 31.81 1wgv n GLU 62 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wgv h GLU 63 N 0.00 0.00 -0.45 3.49 5.08 -1.99 -3.31 114.58 117.40 1wgv h GLU 63 Ca -0.13 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.95 1wgv h GLU 63 Cb 0.55 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.54 1wgv h GLU 63 CO 0.20 0.00 -0.74 0.27 -1.00 0.00 0.00 179.01 177.74 1wgv n ASN 64 N -3.03 -0.37 0.00 1.42 6.94 -1.26 -5.10 115.26 113.85 1wgv n ASN 64 Ca 0.02 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 1wgv n ASN 64 Cb 0.36 0.31 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wgv n GLY 65 N -0.36 0.32 3.84 4.83 0.00 -1.25 -5.14 105.19 107.44 1wgv n GLY 65 Ca 0.02 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 1wgv n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgv s GLU 66 N -1.03 1.73 -0.05 1.61 1.03 -1.26 0.19 118.70 120.92 1wgv s GLU 66 Ca 0.00 -0.97 -0.06 0.00 0.03 0.00 0.00 54.97 53.97 1wgv s GLU 66 Cb 0.00 0.58 0.01 0.00 -0.80 0.00 0.00 34.13 33.93 1wgv s GLU 66 CO 0.00 -0.80 0.16 0.50 -1.33 0.00 0.00 175.26 173.79 1wgv s ARG 67 N -3.75 0.23 -0.65 -4.83 3.52 0.55 -4.76 118.95 109.26 1wgv s ARG 67 Ca 0.11 0.12 -0.20 0.00 -0.13 0.00 0.00 55.73 55.63 1wgv s ARG 67 Cb -0.05 0.11 0.09 0.00 -1.56 0.00 0.00 34.95 33.54 1wgv s ARG 67 CO 0.07 -0.04 0.85 0.08 -0.81 0.00 0.00 175.30 175.45 1wgv s VAL 68 N -0.14 4.61 0.04 7.11 1.01 -1.26 0.41 120.40 132.17 1wgv s VAL 68 Ca -0.02 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 1wgv s VAL 68 Cb -0.02 -4.60 -0.17 0.00 0.00 0.00 0.00 36.38 31.59 1wgv s VAL 68 CO 0.00 -1.30 1.51 -0.07 0.00 0.00 0.00 175.10 175.24 1wgv h LEU 69 N 10.57 -0.16 -7.86 3.92 3.38 -1.46 -3.45 115.31 120.26 1wgv h LEU 69 Ca -0.25 -0.16 -0.26 0.00 0.09 0.00 0.00 57.88 57.31 1wgv h LEU 69 Cb 1.07 0.04 -0.27 0.00 0.09 0.00 0.00 40.66 41.60 1wgv h LEU 69 CO 1.13 0.06 -0.73 -0.32 0.09 0.00 0.00 178.44 178.68 1wgv s MET 70 N -5.38 0.22 -0.16 1.13 0.00 -0.91 -4.65 119.30 109.56 1wgv s MET 70 Ca -0.14 -0.21 -0.31 0.00 0.00 0.00 0.00 55.69 55.03 1wgv s MET 70 Cb 0.04 -0.14 0.14 0.00 0.00 0.00 0.00 34.83 34.86 1wgv s MET 70 CO 0.64 0.03 1.10 -2.00 0.00 0.00 0.00 175.02 174.78 1wgv s GLU 71 N -0.37 0.47 0.00 4.11 -6.30 -1.26 0.19 118.70 115.53 1wgv s GLU 71 Ca -0.02 -0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.41 1wgv s GLU 71 Cb -0.03 0.22 0.00 0.00 0.00 0.00 0.00 34.13 34.32 1wgv s GLU 71 CO -0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1wgv n GLY 72 N 0.28 4.39 3.73 -1.50 0.00 -1.01 -5.02 105.19 106.06 1wgv n GLY 72 Ca -0.05 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1wgv n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgv s LYS 73 N -3.27 4.42 0.87 1.61 1.02 -1.26 -2.57 119.74 120.57 1wgv s LYS 73 Ca 0.00 1.96 -0.11 0.00 0.02 0.00 0.00 55.97 57.84 1wgv s LYS 73 Cb 0.00 -3.23 0.11 0.00 -0.52 0.00 0.00 37.83 34.19 1wgv s LYS 73 CO 0.00 -0.22 1.09 -0.51 -0.92 0.00 0.00 175.35 174.79 1wgv s LEU 74 N 0.14 2.39 0.35 3.17 1.43 0.20 -2.51 118.68 123.85 1wgv s LEU 74 Ca 0.57 1.52 0.23 0.00 -1.03 0.00 0.00 54.13 55.41 1wgv s LEU 74 Cb -0.34 -3.99 0.22 0.00 0.03 0.00 0.00 46.19 42.11 1wgv s LEU 74 CO 0.36 -2.50 1.40 0.71 0.23 0.00 0.00 176.35 176.55 1wgv h THR 75 N -1.45 0.00 -4.56 5.49 1.35 -1.56 -3.42 112.91 108.76 1wgv h THR 75 Ca -0.48 -0.99 -0.39 0.00 -0.55 0.00 0.00 66.41 63.99 1wgv h THR 75 Cb 1.28 1.80 -0.11 0.00 -1.73 0.00 0.00 68.15 69.39 1wgv h THR 75 CO 0.55 0.00 -0.35 -1.00 -0.25 0.00 0.00 175.52 174.47 1wgv s HIS 76 N -3.27 1.47 0.55 4.73 3.76 -1.26 -5.04 115.29 116.23 1wgv s HIS 76 Ca 0.04 -1.52 0.04 0.00 -0.15 0.00 0.00 55.06 53.47 1wgv s HIS 76 Cb 0.07 -0.43 0.05 0.00 1.11 0.00 0.00 32.58 33.38 1wgv s HIS 76 CO 0.71 -1.01 0.76 0.15 -0.85 0.00 0.00 174.74 174.50 1wgv s LYS 77 N -3.21 2.45 0.05 1.40 1.02 -1.26 -4.08 119.74 116.11 1wgv s LYS 77 Ca 0.36 -1.09 -0.00 0.00 0.02 0.00 0.00 55.97 55.26 1wgv s LYS 77 Cb 0.01 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1wgv s LYS 77 CO 0.25 -0.73 0.07 0.44 -0.92 0.00 0.00 175.35 174.45 1wgv n ILE 78 N -2.27 0.00 -3.67 2.17 -6.64 -0.60 -4.40 119.36 103.95 1wgv n ILE 78 Ca 0.10 -0.23 -0.30 0.00 -1.77 0.00 0.00 62.75 60.55 1wgv n ILE 78 Cb 0.60 0.14 -0.09 0.00 -1.44 0.00 0.00 39.64 38.85 1wgv n ILE 78 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1wgv n ASN 79 N -2.03 3.64 -0.31 7.28 2.85 -0.15 -4.80 115.26 121.74 1wgv n ASN 79 Ca 0.00 -3.28 0.14 0.00 -0.11 0.00 0.00 54.58 51.33 1wgv n ASN 79 Cb 0.08 -0.81 0.27 0.00 1.24 0.00 0.00 39.78 40.56 1wgv n ASN 79 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1wgv n THR 80 N 1.65 -0.38 -0.04 -0.44 -2.24 -1.26 0.19 114.28 111.77 1wgv n THR 80 Ca 0.24 1.97 -0.08 0.00 -2.27 0.00 0.00 64.05 63.91 1wgv n THR 80 Cb 0.37 -2.89 -0.02 0.00 -2.10 0.00 0.00 70.33 65.69 1wgv n THR 80 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wgv h GLU 81 N 0.00 -0.14 0.00 -0.78 5.08 -1.93 -0.92 114.58 115.89 1wgv h GLU 81 Ca 0.55 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.81 1wgv h GLU 81 Cb 1.15 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1wgv h GLU 81 CO -0.84 -0.09 -0.52 0.77 -1.00 0.00 0.00 179.01 177.33 1wgv h SER 82 N -0.15 0.00 -4.31 1.42 0.02 0.91 -3.44 113.55 107.99 1wgv h SER 82 Ca 0.12 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.58 1wgv h SER 82 Cb 0.33 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.97 1wgv h SER 82 CO -0.30 0.52 0.35 -0.44 -1.14 0.00 0.00 176.83 175.82 1wgv s SER 83 N -6.57 4.74 0.38 3.07 0.01 0.50 -4.76 113.70 111.07 1wgv s SER 83 Ca 0.00 1.36 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 1wgv s SER 83 Cb 0.11 -2.13 0.04 0.00 0.21 0.00 0.00 66.02 64.25 1wgv s SER 83 CO 0.73 -1.82 0.67 -1.48 0.41 0.00 0.00 173.24 171.75 1wgv s LEU 84 N -5.70 0.44 -0.29 2.44 0.05 -0.51 -4.85 118.68 110.26 1wgv s LEU 84 Ca 0.60 -1.32 -0.14 0.00 0.05 0.00 0.00 54.13 53.32 1wgv s LEU 84 Cb -0.14 2.29 0.13 0.00 -2.05 0.00 0.00 46.19 46.42 1wgv s LEU 84 CO 0.54 -1.55 0.79 -1.66 -0.55 0.00 0.00 176.35 173.92 1wgv s TRP 85 N -2.53 -0.99 -0.07 3.48 1.48 -1.26 0.34 118.94 119.39 1wgv s TRP 85 Ca 0.22 1.82 0.04 0.00 -1.06 0.00 0.00 56.10 57.12 1wgv s TRP 85 Cb -0.03 0.60 -0.02 0.00 -1.16 0.00 0.00 33.47 32.85 1wgv s TRP 85 CO 0.16 -0.49 -0.17 -1.54 -4.06 0.00 0.00 176.95 170.84 1wgv s SER 86 N 2.20 3.76 -0.11 -2.66 1.04 0.30 -4.94 113.70 113.28 1wgv s SER 86 Ca -0.07 -0.31 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 1wgv s SER 86 Cb -0.07 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 1wgv s SER 86 CO -0.18 0.28 0.16 -0.22 0.98 0.00 0.00 173.24 174.26 1wgv s LEU 87 N -0.36 4.39 -0.08 2.42 1.98 -1.26 0.12 118.68 125.89 1wgv s LEU 87 Ca 0.03 0.50 0.05 0.00 -2.89 0.00 0.00 54.13 51.82 1wgv s LEU 87 Cb -0.12 -2.11 -0.01 0.00 0.66 0.00 0.00 46.19 44.61 1wgv s LEU 87 CO 0.02 0.40 -0.24 -1.61 -1.89 0.00 0.00 176.35 173.03 1wgv s GLU 88 N -0.99 2.77 -0.04 1.98 0.41 -0.91 -4.95 118.70 116.98 1wgv s GLU 88 Ca 0.15 -0.88 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 1wgv s GLU 88 Cb -0.12 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.94 1wgv s GLU 88 CO 0.04 0.31 1.21 -1.25 -0.49 0.00 0.00 175.26 175.09 1wgv s PRO 89 N 0.03 4.36 -1.20 0.39 0.04 -1.26 -3.55 135.00 133.80 1wgv s PRO 89 Ca -0.09 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1wgv s PRO 89 Cb -0.15 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 1wgv s PRO 89 CO 0.06 -0.43 0.81 0.41 0.04 0.00 0.00 177.00 177.89 1wgv n GLY 90 N 3.36 -0.63 0.00 0.56 0.00 -0.74 -4.86 105.19 102.88 1wgv n GLY 90 Ca 0.11 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1wgv n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wgv n LYS 91 N -3.99 0.00 -3.83 1.61 5.02 -1.23 -4.99 118.16 110.75 1wgv n LYS 91 Ca -0.21 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.01 1wgv n LYS 91 Cb 0.65 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.67 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgv s VAL 93 N -2.49 4.73 -0.18 0.00 1.01 0.51 -2.14 120.40 121.84 1wgv s VAL 93 Ca 0.16 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1wgv s VAL 93 Cb -0.04 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1wgv s VAL 93 CO 0.09 0.52 0.07 -0.22 0.00 0.00 0.00 175.10 175.56 1wgv s LEU 94 N -0.12 3.88 -0.21 3.92 1.98 0.33 -1.53 118.68 126.93 1wgv s LEU 94 Ca 0.07 0.11 -0.03 0.00 -2.89 0.00 0.00 54.13 51.38 1wgv s LEU 94 Cb -0.12 -1.99 0.07 0.00 0.66 0.00 0.00 46.19 44.81 1wgv s LEU 94 CO 0.01 0.18 0.06 -0.69 -1.89 0.00 0.00 176.35 174.02 1wgv s VAL 95 N 0.36 0.38 -0.13 1.68 1.01 -1.11 0.11 120.40 122.70 1wgv s VAL 95 Ca 0.04 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1wgv s VAL 95 Cb -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1wgv s VAL 95 CO -0.00 -0.33 0.42 0.20 0.00 0.00 0.00 175.10 175.38 1wgv s ASN 96 N 1.91 6.61 -0.13 3.32 0.02 0.15 -3.13 114.94 123.69 1wgv s ASN 96 Ca 0.02 0.72 -0.00 0.00 -1.02 0.00 0.00 52.86 52.58 1wgv s ASN 96 Cb -0.17 -2.25 -0.01 0.00 0.02 0.00 0.00 41.25 38.83 1wgv s ASN 96 CO -0.13 0.04 -0.13 -0.76 0.02 0.00 0.00 177.10 176.14 1wgv s LEU 97 N 0.55 2.73 -0.36 0.60 1.43 -1.19 -1.43 118.68 121.01 1wgv s LEU 97 Ca 0.23 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1wgv s LEU 97 Cb -0.14 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1wgv s LEU 97 CO 0.08 0.16 0.17 -0.55 0.23 0.00 0.00 176.35 176.44 1wgv s SER 98 N 0.36 5.52 0.71 2.29 0.15 -1.26 -3.19 113.70 118.28 1wgv s SER 98 Ca -0.11 -1.15 -0.16 0.00 0.70 0.00 0.00 55.95 55.23 1wgv s SER 98 Cb -0.16 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 1wgv s SER 98 CO 0.06 -0.38 1.06 0.29 1.20 0.00 0.00 173.24 175.47 1wgv n LYS 99 N 4.90 0.62 -1.70 5.44 5.02 -1.26 -0.98 118.16 130.19 1wgv n LYS 99 Ca -0.12 0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1wgv n LYS 99 Cb 0.45 -2.31 0.05 0.00 -0.02 0.00 0.00 35.03 33.20 1wgv n LYS 99 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wgv n VAL 100 N -2.44 3.46 0.00 -0.18 0.24 -1.26 -4.67 118.33 113.49 1wgv n VAL 100 Ca 0.14 -3.73 0.00 0.00 -2.04 0.00 0.00 64.34 58.71 1wgv n VAL 100 Cb 0.49 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 1wgv n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgv n GLY 101 N -0.72 0.87 3.56 7.63 0.00 -1.26 -4.98 105.19 110.28 1wgv n GLY 101 Ca 0.56 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 1wgv n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgv s GLU 102 N -1.13 3.06 0.14 1.61 2.02 -1.26 -4.94 118.70 118.20 1wgv s GLU 102 Ca 0.00 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 54.64 1wgv s GLU 102 Cb 0.00 -4.85 -0.04 0.00 0.10 0.00 0.00 34.13 29.34 1wgv s GLU 102 CO 0.00 -2.59 -0.14 0.71 0.02 0.00 0.00 175.26 173.26 1wgv s TYR 103 N 7.18 1.45 -0.26 1.61 2.02 -1.26 -5.13 117.35 122.96 1wgv s TYR 103 Ca 0.53 -0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 56.56 1wgv s TYR 103 Cb -0.06 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 1wgv s TYR 103 CO 0.03 0.17 0.12 1.67 -1.57 0.00 0.00 175.55 175.98 1wgv s TRP 104 N -2.41 3.15 -0.62 2.71 -2.14 -1.26 -4.99 118.94 113.38 1wgv s TRP 104 Ca 0.12 -0.17 -0.10 0.00 2.66 0.00 0.00 56.10 58.60 1wgv s TRP 104 Cb -0.03 -2.30 0.16 0.00 -3.10 0.00 0.00 33.47 28.20 1wgv s TRP 104 CO 0.03 -0.26 0.51 -1.58 -2.66 0.00 0.00 176.95 172.99 1wgv s TRP 105 N 1.67 3.50 -1.84 1.66 0.52 -1.26 -4.84 118.94 118.35 1wgv s TRP 105 Ca 0.07 -2.01 0.22 0.00 0.02 0.00 0.00 56.10 54.39 1wgv s TRP 105 Cb -0.15 -3.57 0.65 0.00 -1.15 0.00 0.00 33.47 29.24 1wgv s TRP 105 CO 0.07 -0.96 1.54 0.09 0.02 0.00 0.00 176.95 177.71 1wgv n ASN 106 N 4.38 4.04 -3.65 2.95 3.02 -1.26 -4.79 115.26 119.95 1wgv n ASN 106 Ca 0.01 -2.06 0.01 0.00 -0.03 0.00 0.00 54.58 52.51 1wgv n ASN 106 Cb 0.42 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wgv s ALA 107 N -1.11 -2.52 -0.02 5.41 0.00 -1.26 -0.38 121.76 121.88 1wgv s ALA 107 Ca 0.49 1.90 -0.16 0.00 0.00 0.00 0.00 51.96 54.18 1wgv s ALA 107 Cb 0.26 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1wgv s ALA 107 CO 0.32 -0.25 0.71 0.82 0.00 0.00 0.00 175.76 177.36 1wgv h ILE 108 N 4.42 0.00 -2.04 0.00 1.08 -1.90 -3.40 117.51 115.67 1wgv h ILE 108 Ca -0.27 -0.49 -0.44 0.00 -0.39 0.00 0.00 64.86 63.28 1wgv h ILE 108 Cb 1.17 0.00 0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1wgv h ILE 108 CO 0.22 0.00 -0.24 -0.76 -0.69 0.00 0.00 178.15 176.68 1wgv s LEU 109 N -8.78 3.78 0.79 1.44 1.43 -1.26 -1.71 118.68 114.36 1wgv s LEU 109 Ca -0.09 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1wgv s LEU 109 Cb 0.01 -2.85 0.07 0.00 0.03 0.00 0.00 46.19 43.45 1wgv s LEU 109 CO 0.26 -0.62 1.09 -1.61 0.23 0.00 0.00 176.35 175.69 1wgv s GLU 110 N -4.35 2.13 0.00 1.70 0.41 -1.04 -3.76 118.70 113.79 1wgv s GLU 110 Ca 0.49 0.85 0.00 0.00 -0.41 0.00 0.00 54.97 55.90 1wgv s GLU 110 Cb -0.10 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1wgv s GLU 110 CO 0.34 -1.64 0.00 0.41 -0.49 0.00 0.00 175.26 173.87 1wgv n GLY 111 N -1.69 1.53 3.49 -1.39 0.00 -1.26 -4.92 105.19 100.95 1wgv n GLY 111 Ca 0.07 -0.02 -0.56 0.00 0.00 0.00 0.00 46.02 45.51 1wgv n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wgv n GLU 112 N 0.00 0.72 -0.89 1.61 4.07 -1.25 -4.85 120.64 120.05 1wgv n GLU 112 Ca 0.00 0.23 -0.36 0.00 -0.06 0.00 0.00 57.16 56.97 1wgv n GLU 112 Cb 0.00 -2.02 0.08 0.00 -0.06 0.00 0.00 31.44 29.44 1wgv n GLU 112 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1wgv n GLU 113 N 6.91 -0.38 -2.43 5.31 -0.58 -1.26 -4.76 120.64 123.45 1wgv n GLU 113 Ca 0.40 -0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.62 1wgv n GLU 113 Cb 0.10 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wgv s PRO 114 N -2.61 4.34 1.01 3.49 0.04 -1.26 -4.67 135.00 135.34 1wgv s PRO 114 Ca 0.45 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1wgv s PRO 114 Cb -0.09 -3.56 0.08 0.00 0.04 0.00 0.00 34.50 30.96 1wgv s PRO 114 CO 0.72 -0.47 -0.13 0.44 0.04 0.00 0.00 177.00 177.60 1wgv n ILE 115 N 4.63 0.00 -3.35 0.56 -5.35 0.49 -5.03 119.36 111.31 1wgv n ILE 115 Ca 0.11 -0.12 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 1wgv n ILE 115 Cb 0.46 -0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 1wgv n ILE 115 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wgv s ASP 116 N -1.70 -0.94 0.85 7.28 2.15 -1.26 -5.05 116.67 117.99 1wgv s ASP 116 Ca 0.40 0.94 -0.17 0.00 0.43 0.00 0.00 52.55 54.16 1wgv s ASP 116 Cb -0.05 1.93 -0.12 0.00 -0.30 0.00 0.00 42.92 44.39 1wgv s ASP 116 CO 0.48 -0.18 -0.38 -0.38 -0.17 0.00 0.00 175.17 174.54 1wgv n ILE 117 N 5.32 0.18 -2.14 4.11 5.41 -1.26 -4.83 119.36 126.16 1wgv n ILE 117 Ca -0.07 -0.46 -0.40 0.00 1.00 0.00 0.00 62.75 62.82 1wgv n ILE 117 Cb 0.51 -0.14 -0.02 0.00 -0.71 0.00 0.00 39.64 39.29 1wgv n ILE 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wgv s ASP 118 N -1.15 6.62 -0.20 4.38 2.15 -1.26 -5.02 116.67 122.20 1wgv s ASP 118 Ca 0.48 2.61 -0.04 0.00 0.43 0.00 0.00 52.55 56.04 1wgv s ASP 118 Cb -0.28 -2.64 0.07 0.00 -0.30 0.00 0.00 42.92 39.77 1wgv s ASP 118 CO 0.75 -0.63 0.08 -0.94 -0.17 0.00 0.00 175.17 174.25 1wgv s SER 119 N -0.67 2.72 0.41 -0.34 1.04 -1.26 -5.10 113.70 110.50 1wgv s SER 119 Ca 0.52 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1wgv s SER 119 Cb -0.38 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1wgv s SER 119 CO 0.49 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1wgv n GLY 120 N 5.18 0.32 3.80 7.32 0.00 -1.26 -4.80 105.19 115.75 1wgv n GLY 120 Ca -0.07 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1wgv n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgv s PRO 121 N 0.00 3.82 -0.25 1.61 0.04 -1.26 -4.96 135.00 134.00 1wgv s PRO 121 Ca 0.00 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1wgv s PRO 121 Cb 0.00 -2.12 0.12 0.00 0.04 0.00 0.00 34.50 32.55 1wgv s PRO 121 CO 0.00 -0.41 0.30 -1.12 0.04 0.00 0.00 177.00 175.81 1wgv s SER 122 N -1.96 1.09 -0.28 6.66 0.01 -1.26 -5.13 113.70 112.83 1wgv s SER 122 Ca 0.67 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 57.39 1wgv s SER 122 Cb -0.17 0.68 0.10 0.00 0.21 0.00 0.00 66.02 66.85 1wgv s SER 122 CO 0.20 -0.34 0.90 -0.55 0.41 0.00 0.00 173.24 173.86 1wgv s SER 123 N 2.42 -0.58 0.00 2.44 0.15 -1.26 -4.97 113.70 111.89 1wgv s SER 123 Ca 0.10 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1wgv s SER 123 Cb -0.15 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1wgv s SER 123 CO -0.21 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.64