#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 -0.09 -0.13 1.61 0.15 -1.26 -5.18 113.70 108.81 1wgv s SER 2 Ca 0.00 0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 1wgv s SER 2 Cb 0.00 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1wgv s SER 2 CO 0.00 -0.05 0.34 -0.44 1.20 0.00 0.00 173.24 174.28 1wgv s SER 3 N -0.47 -0.36 0.00 5.45 0.01 -1.26 -5.07 113.70 112.00 1wgv s SER 3 Ca 0.07 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wgv s SER 3 Cb -0.03 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1wgv s SER 3 CO -0.11 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wgv n GLY 4 N 3.05 -0.00 0.73 3.44 0.00 -1.26 -5.10 105.19 106.05 1wgv n GLY 4 Ca -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 1wgv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgv n SER 5 N 0.00 1.29 -1.14 1.61 2.88 -1.26 -5.14 113.62 111.86 1wgv n SER 5 Ca 0.00 0.19 0.12 0.00 -1.33 0.00 0.00 58.87 57.85 1wgv n SER 5 Cb 0.00 -0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 62.95 1wgv n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgv n SER 6 N -3.76 -6.20 0.00 -3.46 2.88 -1.26 -5.03 113.62 96.79 1wgv n SER 6 Ca -0.06 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1wgv n SER 6 Cb 0.23 -3.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.80 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 -3.68 1.04 0.06 0.46 0.00 -1.26 -4.87 105.19 96.94 1wgv n GLY 7 Ca -0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 1wgv n GLY 7 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1wgv h GLN 8 N 0.00 0.00 -6.24 1.61 4.15 -2.08 -3.45 115.11 109.10 1wgv h GLN 8 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 1wgv h GLN 8 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1wgv h GLN 8 CO 0.00 0.00 1.23 0.21 -1.93 0.00 0.00 178.83 178.34 1wgv s LYS 9 N -1.78 3.85 0.43 1.69 2.20 -1.26 -4.90 119.74 119.97 1wgv s LYS 9 Ca -0.05 2.17 -0.22 0.00 -0.36 0.00 0.00 55.97 57.51 1wgv s LYS 9 Cb 0.01 -4.14 -0.12 0.00 -1.51 0.00 0.00 37.83 32.06 1wgv s LYS 9 CO 0.08 -1.26 0.54 0.09 -0.36 0.00 0.00 175.35 174.44 1wgv n ASN 10 N 8.55 -0.90 -0.00 1.43 3.02 -1.26 -4.69 115.26 121.41 1wgv n ASN 10 Ca 0.21 0.90 -0.17 0.00 -0.03 0.00 0.00 54.58 55.48 1wgv n ASN 10 Cb 0.43 -1.12 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1wgv n ASN 10 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1wgv h PRO 11 N 0.77 0.49 -6.48 3.52 0.13 -1.95 -3.46 132.00 125.02 1wgv h PRO 11 Ca -0.41 -0.48 -0.52 0.00 -0.87 0.00 0.00 66.00 63.72 1wgv h PRO 11 Cb 1.40 0.12 0.23 0.00 0.13 0.00 0.00 31.00 32.88 1wgv h PRO 11 CO 0.51 1.12 -1.20 -0.25 -0.23 0.00 0.00 178.00 177.95 1wgv n ASP 12 N -4.17 -3.33 -2.25 1.44 8.00 -1.26 -4.55 116.55 110.43 1wgv n ASP 12 Ca -0.10 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1wgv n ASP 12 Cb 0.68 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1wgv n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wgv n SER 13 N 0.38 -9.25 -0.04 -2.24 2.88 -1.26 -5.03 113.62 99.06 1wgv n SER 13 Ca 0.03 1.70 -0.09 0.00 -1.33 0.00 0.00 58.87 59.18 1wgv n SER 13 Cb 0.58 -5.07 -0.03 0.00 -0.75 0.00 0.00 64.21 58.94 1wgv n SER 13 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1wgv n TYR 14 N 1.80 0.00 0.12 0.66 4.02 -1.26 -5.05 117.16 117.44 1wgv n TYR 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1wgv n TYR 14 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 1wgv n TYR 14 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wgv n ASN 15 N -3.90 -2.14 -4.08 7.72 2.85 -1.26 -5.14 115.26 109.30 1wgv n ASN 15 Ca -0.15 0.49 -0.37 0.00 -0.11 0.00 0.00 54.58 54.44 1wgv n ASN 15 Cb 0.43 2.20 0.07 0.00 1.24 0.00 0.00 39.78 43.72 1wgv n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wgv n GLY 16 N -1.44 -3.28 3.68 8.20 0.00 -1.26 -4.66 105.19 106.43 1wgv n GLY 16 Ca 0.00 -0.47 -0.51 0.00 0.00 0.00 0.00 46.02 45.05 1wgv n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgv n ALA 17 N -3.40 0.51 -2.40 4.61 0.00 -1.26 -4.86 120.51 113.70 1wgv n ALA 17 Ca -0.01 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1wgv n ALA 17 Cb 0.66 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 1wgv n ALA 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wgv s VAL 18 N 3.25 2.56 -0.05 0.00 -7.23 -1.26 -3.97 120.40 113.70 1wgv s VAL 18 Ca 0.92 -1.61 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 1wgv s VAL 18 Cb -0.81 -3.00 0.05 0.00 0.56 0.00 0.00 36.38 33.18 1wgv s VAL 18 CO 0.53 -0.04 0.52 -0.60 -0.31 0.00 0.00 175.10 175.20 1wgv s ARG 19 N -3.95 0.87 0.10 4.82 6.06 -1.24 -4.96 118.95 120.65 1wgv s ARG 19 Ca 0.42 0.12 -0.20 0.00 -2.50 0.00 0.00 55.73 53.57 1wgv s ARG 19 Cb 0.01 0.40 -0.09 0.00 0.06 0.00 0.00 34.95 35.33 1wgv s ARG 19 CO 0.24 -0.25 1.68 0.93 -2.50 0.00 0.00 175.30 175.40 1wgv h GLU 20 N 3.54 0.24 0.26 5.12 5.08 -2.01 -3.07 114.58 123.73 1wgv h GLU 20 Ca -0.28 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1wgv h GLU 20 Cb 1.16 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1wgv h GLU 20 CO 0.37 0.26 -0.47 -0.97 -1.00 0.00 0.00 179.01 177.21 1wgv h ASN 21 N 0.16 -1.36 -3.15 1.42 -1.24 -1.97 -3.44 115.58 106.00 1wgv h ASN 21 Ca 0.06 0.13 -0.11 0.00 0.71 0.00 0.00 56.30 57.10 1wgv h ASN 21 Cb 0.10 0.49 -0.26 0.00 0.73 0.00 0.00 38.32 39.37 1wgv h ASN 21 CO -0.01 -0.57 -0.29 -0.72 -1.29 0.00 0.00 177.43 174.56 1wgv s TYR 22 N -5.87 -0.65 0.32 0.67 -0.85 -1.17 -4.62 117.35 105.18 1wgv s TYR 22 Ca -0.17 1.36 -0.14 0.00 -0.52 0.00 0.00 57.07 57.60 1wgv s TYR 22 Cb 0.06 0.29 -0.08 0.00 0.38 0.00 0.00 41.96 42.61 1wgv s TYR 22 CO 0.62 -0.37 0.71 0.95 -1.52 0.00 0.00 175.55 175.94 1wgv s THR 23 N 1.52 4.73 0.14 -3.49 -4.23 -1.04 -3.61 115.64 109.67 1wgv s THR 23 Ca -0.09 0.84 -0.18 0.00 -1.18 0.00 0.00 61.69 61.08 1wgv s THR 23 Cb -0.09 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.17 1wgv s THR 23 CO -0.13 -0.21 0.47 -1.66 -0.54 0.00 0.00 174.62 172.54 1wgv s TRP 24 N -2.01 -0.27 0.11 3.99 1.48 -1.25 -1.20 118.94 119.80 1wgv s TRP 24 Ca 0.53 -0.03 -0.09 0.00 -1.06 0.00 0.00 56.10 55.45 1wgv s TRP 24 Cb -0.10 0.35 -0.00 0.00 -1.16 0.00 0.00 33.47 32.55 1wgv s TRP 24 CO 0.20 -0.77 0.23 -1.12 -4.06 0.00 0.00 176.95 171.43 1wgv s SER 25 N -2.80 0.07 -0.11 -2.66 0.01 -0.87 -4.26 113.70 103.08 1wgv s SER 25 Ca 0.03 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 1wgv s SER 25 Cb 0.01 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1wgv s SER 25 CO -0.11 -0.79 -0.03 0.00 0.41 0.00 0.00 173.24 172.73 1wgv s GLN 26 N -3.89 3.19 0.34 12.44 -2.07 -1.26 -3.01 119.66 125.40 1wgv s GLN 26 Ca 0.09 -0.48 0.04 0.00 -1.82 0.00 0.00 55.36 53.19 1wgv s GLN 26 Cb 0.04 -2.80 -0.07 0.00 -1.09 0.00 0.00 33.01 29.10 1wgv s GLN 26 CO -0.08 0.53 0.05 0.34 -1.32 0.00 0.00 175.29 174.81 1wgv s ASP 27 N -0.41 2.62 0.18 12.60 2.15 -0.80 -4.93 116.67 128.08 1wgv s ASP 27 Ca 0.07 -1.38 -0.20 0.00 0.43 0.00 0.00 52.55 51.47 1wgv s ASP 27 Cb -0.12 -0.12 0.10 0.00 -0.30 0.00 0.00 42.92 42.48 1wgv s ASP 27 CO 0.02 -0.59 1.35 0.00 -0.17 0.00 0.00 175.17 175.78 1wgv n TYR 28 N -0.74 -0.14 -3.00 -5.34 4.19 -1.26 -3.67 117.16 107.20 1wgv n TYR 28 Ca -0.03 1.08 -0.15 0.00 3.31 0.00 0.00 57.90 62.11 1wgv n TYR 28 Cb 0.67 -0.72 -0.02 0.00 0.49 0.00 0.00 39.34 39.75 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1wgv n THR 29 N -5.21 -0.44 0.00 2.97 5.66 -1.26 -5.06 114.28 110.95 1wgv n THR 29 Ca 0.06 -2.44 0.00 0.00 -3.05 0.00 0.00 64.05 58.62 1wgv n THR 29 Cb 0.30 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1wgv n THR 29 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1wgv n ASP 30 N 2.13 0.00 -4.20 1.09 8.00 -1.24 -4.69 116.55 117.64 1wgv n ASP 30 Ca 0.19 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.43 1wgv n ASP 30 Cb 0.56 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.51 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wgv s LEU 31 N 0.00 2.07 -0.27 0.64 1.02 -1.17 -1.90 118.68 119.08 1wgv s LEU 31 Ca 0.00 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1wgv s LEU 31 Cb 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 46.19 45.33 1wgv s LEU 31 CO 0.00 0.21 -0.01 -1.61 0.02 0.00 0.00 176.35 174.96 1wgv s GLU 32 N -0.65 1.47 -0.14 1.70 2.02 -1.16 -2.96 118.70 118.98 1wgv s GLU 32 Ca 0.07 -1.24 0.01 0.00 0.02 0.00 0.00 54.97 53.83 1wgv s GLU 32 Cb -0.08 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.50 1wgv s GLU 32 CO -0.00 -0.74 -0.16 0.54 0.02 0.00 0.00 175.26 174.92 1wgv s VAL 33 N 1.30 2.69 -0.10 2.63 0.11 -1.22 -2.05 120.40 123.75 1wgv s VAL 33 Ca 0.01 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.31 1wgv s VAL 33 Cb -0.19 -2.12 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1wgv s VAL 33 CO -0.10 0.52 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.87 1wgv s ARG 34 N 0.63 3.10 -0.14 1.54 0.52 -0.34 -2.94 118.95 121.32 1wgv s ARG 34 Ca -0.09 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1wgv s ARG 34 Cb -0.16 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 1wgv s ARG 34 CO 0.03 0.24 -0.08 0.08 0.02 0.00 0.00 175.30 175.59 1wgv s VAL 35 N 0.23 3.51 0.29 3.52 1.01 -0.56 -2.50 120.40 125.91 1wgv s VAL 35 Ca -0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1wgv s VAL 35 Cb -0.16 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1wgv s VAL 35 CO 0.07 0.51 1.08 -2.16 0.00 0.00 0.00 175.10 174.59 1wgv s PRO 36 N 0.30 4.59 0.18 2.72 0.04 -1.26 0.19 135.00 141.77 1wgv s PRO 36 Ca -0.07 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1wgv s PRO 36 Cb -0.15 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wgv s PRO 36 CO 0.04 0.19 -0.15 0.14 0.04 0.00 0.00 177.00 177.26 1wgv s VAL 37 N -1.24 1.69 1.05 -0.36 -7.23 -1.01 -4.86 120.40 108.45 1wgv s VAL 37 Ca 0.46 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.38 1wgv s VAL 37 Cb -0.30 -1.93 0.23 0.00 0.56 0.00 0.00 36.38 34.94 1wgv s VAL 37 CO 0.38 -0.51 1.21 -2.16 -0.31 0.00 0.00 175.10 173.70 1wgv s PRO 38 N -3.34 -0.05 -0.01 4.82 0.04 -1.26 -4.39 135.00 130.81 1wgv s PRO 38 Ca 0.19 -0.16 0.06 0.00 0.04 0.00 0.00 61.00 61.13 1wgv s PRO 38 Cb -0.02 -1.74 0.20 0.00 0.04 0.00 0.00 34.50 32.97 1wgv s PRO 38 CO 0.06 -2.92 1.11 1.63 0.04 0.00 0.00 177.00 176.92 1wgv n LYS 39 N -4.18 1.61 0.00 4.56 4.76 -1.26 -2.90 118.16 120.74 1wgv n LYS 39 Ca 0.13 -0.79 0.05 0.00 -2.87 0.00 0.00 58.31 54.83 1wgv n LYS 39 Cb 0.59 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.51 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 -3.60 2.13 1.44 -1.26 -4.80 115.22 109.27 1wgv n HIS 40 Ca 0.07 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.39 1wgv n HIS 40 Cb 0.24 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.50 4.88 0.00 0.61 1.01 -1.14 -4.82 120.40 119.43 1wgv s VAL 41 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1wgv s VAL 41 Cb 0.08 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1wgv s VAL 41 CO 0.29 0.02 0.00 1.33 0.00 0.00 0.00 175.10 176.74 1wgv n VAL 42 N 5.03 0.00 -2.61 2.92 0.24 -1.26 -1.61 118.33 121.05 1wgv n VAL 42 Ca -0.13 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1wgv n VAL 42 Cb 0.49 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.37 4.71 0.25 7.34 1.02 -1.26 -4.34 119.74 126.09 1wgv s LYS 43 Ca 0.00 1.63 0.20 0.00 0.02 0.00 0.00 55.97 57.83 1wgv s LYS 43 Cb 0.00 -3.26 0.96 0.00 -0.52 0.00 0.00 37.83 35.01 1wgv s LYS 43 CO 0.00 0.29 1.62 0.41 -0.92 0.00 0.00 175.35 176.74 1wgv n GLY 44 N 1.62 -1.02 0.05 -3.33 0.00 -1.26 -0.52 105.19 100.73 1wgv n GLY 44 Ca -0.00 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.14 0.16 0.00 1.61 2.85 -1.26 -3.02 118.16 116.36 1wgv n LYS 45 Ca 0.00 0.10 0.14 0.00 -1.05 0.00 0.00 58.31 57.51 1wgv n LYS 45 Cb 0.12 -1.66 0.72 0.00 -0.65 0.00 0.00 35.03 33.57 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 -1.92 0.35 -4.09 -1.58 6.02 0.32 -4.77 117.38 111.70 1wgv n GLN 46 Ca 0.05 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 1wgv n GLN 46 Cb 0.40 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.64 0.62 0.08 5.09 -7.23 -1.17 0.20 120.40 115.34 1wgv s VAL 47 Ca 0.26 -1.20 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1wgv s VAL 47 Cb 0.20 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1wgv s VAL 47 CO 0.46 -0.42 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.25 1wgv s SER 48 N -1.77 4.12 -0.18 4.85 0.01 0.12 -4.93 113.70 115.92 1wgv s SER 48 Ca -0.07 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 1wgv s SER 48 Cb -0.08 -0.73 0.06 0.00 0.21 0.00 0.00 66.02 65.48 1wgv s SER 48 CO 0.00 0.21 0.10 -0.69 0.41 0.00 0.00 173.24 173.27 1wgv s VAL 49 N -1.08 -0.09 -0.38 3.43 1.01 -1.24 -2.87 120.40 119.18 1wgv s VAL 49 Ca 0.18 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1wgv s VAL 49 Cb -0.11 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.72 1wgv s VAL 49 CO 0.10 -0.31 0.19 0.00 0.00 0.00 0.00 175.10 175.08 1wgv s ALA 50 N 2.14 3.20 -0.11 5.51 0.00 -1.00 -4.96 121.76 126.55 1wgv s ALA 50 Ca 0.03 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.10 1wgv s ALA 50 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1wgv s ALA 50 CO -0.11 -1.46 -0.07 -0.51 0.00 0.00 0.00 175.76 173.61 1wgv s LEU 51 N 1.46 3.10 0.08 0.00 1.43 -1.26 -2.87 118.68 120.61 1wgv s LEU 51 Ca 0.01 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1wgv s LEU 51 Cb -0.21 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1wgv s LEU 51 CO 0.04 0.26 0.00 -1.20 0.23 0.00 0.00 176.35 175.68 1wgv n SER 52 N 2.90 0.12 0.00 2.29 7.64 -1.24 -5.06 113.62 120.27 1wgv n SER 52 Ca -0.18 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wgv n SER 52 Cb 0.53 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.87 0.00 -2.74 6.43 3.41 -1.26 -4.62 113.62 111.98 1wgv n SER 53 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1wgv n SER 53 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.92 -3.64 4.04 2.88 -1.24 -0.03 113.62 117.55 1wgv n SER 54 Ca 0.00 -2.28 -0.06 0.00 -1.33 0.00 0.00 58.87 55.19 1wgv n SER 54 Cb 0.00 -0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 62.92 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 -3.71 -0.52 0.14 -3.46 1.04 -1.26 0.30 113.70 106.22 1wgv s SER 55 Ca 0.30 0.91 0.09 0.00 0.48 0.00 0.00 55.95 57.72 1wgv s SER 55 Cb 0.34 1.06 -0.04 0.00 0.10 0.00 0.00 66.02 67.49 1wgv s SER 55 CO -0.03 -0.15 -0.20 -0.51 0.98 0.00 0.00 173.24 173.34 1wgv s ILE 56 N 0.78 1.80 -0.19 -1.02 2.07 -1.12 -3.64 121.20 119.88 1wgv s ILE 56 Ca -0.03 -1.77 -0.04 0.00 -1.41 0.00 0.00 60.65 57.40 1wgv s ILE 56 Cb -0.04 -1.74 0.08 0.00 0.13 0.00 0.00 42.46 40.89 1wgv s ILE 56 CO -0.11 -0.20 0.19 -0.60 -1.91 0.00 0.00 174.94 172.32 1wgv s ARG 57 N -2.42 0.16 -0.29 3.50 3.52 -1.14 -2.40 118.95 119.88 1wgv s ARG 57 Ca 0.12 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1wgv s ARG 57 Cb -0.08 -1.32 0.08 0.00 -1.56 0.00 0.00 34.95 32.07 1wgv s ARG 57 CO 0.06 -0.65 -0.03 0.08 -0.81 0.00 0.00 175.30 173.95 1wgv s VAL 58 N 2.28 2.12 0.04 7.11 1.01 0.49 -2.36 120.40 131.10 1wgv s VAL 58 Ca 0.06 -1.89 0.06 0.00 0.00 0.00 0.00 61.98 60.21 1wgv s VAL 58 Cb -0.16 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1wgv s VAL 58 CO -0.11 -0.29 -0.18 0.00 0.00 0.00 0.00 175.10 174.51 1wgv s ALA 59 N 1.06 1.55 -0.04 5.51 0.00 -1.14 0.53 121.76 129.22 1wgv s ALA 59 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.06 1wgv s ALA 59 Cb -0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1wgv s ALA 59 CO -0.07 0.34 -0.24 0.00 0.00 0.00 0.00 175.76 175.79 1wgv s MET 60 N -1.11 2.23 0.22 0.00 0.23 0.18 0.11 119.30 121.15 1wgv s MET 60 Ca 0.06 -0.85 -0.30 0.00 -1.03 0.00 0.00 55.69 53.57 1wgv s MET 60 Cb -0.08 -1.98 -0.09 0.00 -1.53 0.00 0.00 34.83 31.15 1wgv s MET 60 CO 0.01 0.41 1.35 -0.51 -2.03 0.00 0.00 175.02 174.25 1wgv s LEU 61 N -0.28 4.41 0.00 0.18 1.43 0.53 -0.36 118.68 124.59 1wgv s LEU 61 Ca 0.01 2.49 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 1wgv s LEU 61 Cb -0.12 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.52 1wgv s LEU 61 CO 0.02 -0.57 0.30 -0.62 0.23 0.00 0.00 176.35 175.70 1wgv n GLU 62 N 2.43 0.86 0.13 1.70 -0.58 0.55 -4.87 120.64 120.86 1wgv n GLU 62 Ca 0.06 -1.19 -0.01 0.00 -0.42 0.00 0.00 57.16 55.60 1wgv n GLU 62 Cb 0.42 -0.08 0.24 0.00 -0.57 0.00 0.00 31.44 31.44 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 0.12 -1.29 3.49 4.39 -1.99 -3.31 114.58 115.99 1wgv h GLU 63 Ca -0.10 -0.06 -0.39 0.00 0.34 0.00 0.00 59.36 59.14 1wgv h GLU 63 Cb 0.47 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.74 1wgv h GLU 63 CO 0.15 0.57 -1.16 0.09 -1.16 0.00 0.00 179.01 177.50 1wgv n ASN 64 N -3.98 1.07 0.00 1.42 4.13 -1.26 -5.09 115.26 111.56 1wgv n ASN 64 Ca -0.02 -2.82 0.00 0.00 1.68 0.00 0.00 54.58 53.42 1wgv n ASN 64 Cb 0.51 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wgv n GLY 65 N 0.05 0.38 3.85 7.41 0.00 -1.25 -5.13 105.19 110.49 1wgv n GLY 65 Ca 0.14 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.66 1.78 -0.01 1.61 1.03 -1.26 0.20 118.70 120.39 1wgv s GLU 66 Ca 0.00 -0.98 -0.05 0.00 0.03 0.00 0.00 54.97 53.98 1wgv s GLU 66 Cb 0.00 0.61 0.00 0.00 -0.80 0.00 0.00 34.13 33.94 1wgv s GLU 66 CO 0.00 -0.81 0.10 0.50 -1.33 0.00 0.00 175.26 173.72 1wgv s ARG 67 N -3.91 0.30 -0.71 -4.83 3.52 0.51 -4.77 118.95 109.06 1wgv s ARG 67 Ca 0.11 -0.19 -0.19 0.00 -0.13 0.00 0.00 55.73 55.33 1wgv s ARG 67 Cb -0.06 0.13 0.12 0.00 -1.56 0.00 0.00 34.95 33.58 1wgv s ARG 67 CO 0.07 -0.06 0.85 0.08 -0.81 0.00 0.00 175.30 175.42 1wgv s VAL 68 N -0.76 4.85 0.08 7.11 1.01 -1.26 0.48 120.40 131.90 1wgv s VAL 68 Ca -0.08 -1.26 -0.35 0.00 0.00 0.00 0.00 61.98 60.29 1wgv s VAL 68 Cb -0.05 -4.58 -0.18 0.00 0.00 0.00 0.00 36.38 31.57 1wgv s VAL 68 CO 0.01 -1.25 1.59 -0.07 0.00 0.00 0.00 175.10 175.38 1wgv h LEU 69 N 9.95 -1.11 -7.87 3.92 3.38 -0.27 -3.44 115.31 119.88 1wgv h LEU 69 Ca -0.13 0.07 -0.36 0.00 0.09 0.00 0.00 57.88 57.54 1wgv h LEU 69 Cb 1.06 0.34 -0.30 0.00 0.09 0.00 0.00 40.66 41.85 1wgv h LEU 69 CO 1.07 -0.65 -0.76 -0.32 0.09 0.00 0.00 178.44 177.86 1wgv s MET 70 N -5.97 0.59 -0.27 1.13 0.00 -0.42 -4.76 119.30 109.61 1wgv s MET 70 Ca -0.18 -0.17 -0.26 0.00 0.00 0.00 0.00 55.69 55.08 1wgv s MET 70 Cb 0.04 -0.59 0.13 0.00 0.00 0.00 0.00 34.83 34.41 1wgv s MET 70 CO 0.61 0.06 1.08 -2.00 0.00 0.00 0.00 175.02 174.78 1wgv s GLU 71 N 0.23 0.45 0.00 4.11 -6.30 -1.26 0.19 118.70 116.12 1wgv s GLU 71 Ca -0.03 0.46 0.00 0.00 -2.50 0.00 0.00 54.97 52.90 1wgv s GLU 71 Cb -0.07 0.22 0.00 0.00 0.00 0.00 0.00 34.13 34.28 1wgv s GLU 71 CO -0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1wgv n GLY 72 N 1.89 3.56 3.68 -1.50 0.00 -1.01 -5.01 105.19 106.80 1wgv n GLY 72 Ca -0.12 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1wgv n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgv s LYS 73 N -2.22 4.15 0.20 1.61 -2.85 -1.26 -2.78 119.74 116.59 1wgv s LYS 73 Ca 0.00 2.54 -0.03 0.00 -1.00 0.00 0.00 55.97 57.47 1wgv s LYS 73 Cb 0.00 -3.76 0.05 0.00 -2.06 0.00 0.00 37.83 32.06 1wgv s LYS 73 CO 0.00 -0.86 0.12 1.28 0.10 0.00 0.00 175.35 175.99 1wgv n LEU 74 N 6.23 0.00 0.09 2.77 4.77 0.15 -1.84 117.00 129.17 1wgv n LEU 74 Ca 0.18 -0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 1wgv n LEU 74 Cb 0.40 -0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 1wgv n LEU 74 CO 0.66 -1.65 -0.18 0.71 -1.33 0.00 0.00 177.39 175.59 1wgv h THR 75 N -2.19 1.34 -2.14 -5.08 1.35 -0.99 -3.28 112.91 101.92 1wgv h THR 75 Ca -0.05 -2.93 0.01 0.00 -0.55 0.00 0.00 66.41 62.89 1wgv h THR 75 Cb 0.18 2.87 -0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1wgv h THR 75 CO 0.03 0.85 0.13 1.41 -0.25 0.00 0.00 175.52 177.69 1wgv n HIS 76 N -3.51 -1.19 -1.18 4.73 8.25 -1.26 -4.94 115.22 116.12 1wgv n HIS 76 Ca -0.12 -0.51 -0.30 0.00 -0.26 0.00 0.00 57.72 56.53 1wgv n HIS 76 Cb 1.04 0.25 0.14 0.00 1.12 0.00 0.00 29.99 32.54 1wgv n HIS 76 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wgv s LYS 77 N -2.02 1.17 0.10 -0.41 3.01 -1.23 -3.70 119.74 116.66 1wgv s LYS 77 Ca 0.06 0.82 -0.02 0.00 -1.01 0.00 0.00 55.97 55.82 1wgv s LYS 77 Cb -0.01 -1.80 0.01 0.00 -1.01 0.00 0.00 37.83 35.02 1wgv s LYS 77 CO 0.03 -2.30 0.17 0.44 0.51 0.00 0.00 175.35 174.20 1wgv n ILE 78 N -3.92 0.00 -3.54 2.17 -6.64 0.96 -4.59 119.36 103.79 1wgv n ILE 78 Ca 0.07 -0.42 -0.40 0.00 -1.77 0.00 0.00 62.75 60.23 1wgv n ILE 78 Cb 0.55 0.30 -0.05 0.00 -1.44 0.00 0.00 39.64 39.00 1wgv n ILE 78 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 1wgv s ASN 79 N -1.60 6.18 0.22 7.28 0.01 0.09 -4.78 114.94 122.34 1wgv s ASN 79 Ca 0.07 -3.27 -0.09 0.00 -0.71 0.00 0.00 52.86 48.86 1wgv s ASN 79 Cb -0.01 -2.01 0.35 0.00 0.41 0.00 0.00 41.25 39.99 1wgv s ASN 79 CO 0.05 -0.33 1.68 0.71 -1.51 0.00 0.00 177.10 177.70 1wgv h THR 80 N 4.46 0.53 -0.22 1.60 1.35 -1.87 0.75 112.91 119.51 1wgv h THR 80 Ca 0.11 -0.07 0.06 0.00 -0.55 0.00 0.00 66.41 65.95 1wgv h THR 80 Cb 0.91 0.32 -0.07 0.00 -1.73 0.00 0.00 68.15 67.57 1wgv h THR 80 CO 0.82 0.04 -0.34 -0.33 -0.25 0.00 0.00 175.52 175.46 1wgv h GLU 81 N 0.20 -0.35 -0.24 4.72 5.08 -1.94 -0.04 114.58 122.01 1wgv h GLU 81 Ca 0.35 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1wgv h GLU 81 Cb 0.57 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1wgv h GLU 81 CO -0.49 -0.23 -0.20 1.03 -1.00 0.00 0.00 179.01 178.12 1wgv h SER 82 N -0.36 0.42 -2.81 1.42 0.87 -1.61 -3.42 113.55 108.06 1wgv h SER 82 Ca 0.12 -0.12 -0.54 0.00 -1.23 0.00 0.00 61.79 60.01 1wgv h SER 82 Cb 0.55 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wgv h SER 82 CO -0.42 0.63 0.91 -0.44 -0.53 0.00 0.00 176.83 176.98 1wgv s SER 83 N -6.81 6.76 0.54 6.23 0.01 0.25 -4.81 113.70 115.86 1wgv s SER 83 Ca -0.07 2.23 0.05 0.00 1.31 0.00 0.00 55.95 59.48 1wgv s SER 83 Cb 0.14 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.85 1wgv s SER 83 CO 0.77 -0.79 0.39 -1.48 0.41 0.00 0.00 173.24 172.54 1wgv s LEU 84 N 2.64 2.71 -0.30 2.44 0.05 -1.12 -4.83 118.68 120.27 1wgv s LEU 84 Ca 0.68 -1.25 -0.13 0.00 0.05 0.00 0.00 54.13 53.48 1wgv s LEU 84 Cb -0.34 -1.20 0.15 0.00 -2.05 0.00 0.00 46.19 42.75 1wgv s LEU 84 CO 0.28 -1.08 0.82 -1.66 -0.55 0.00 0.00 176.35 174.17 1wgv s TRP 85 N -2.77 -1.00 -0.05 3.48 1.48 -1.26 -2.12 118.94 116.71 1wgv s TRP 85 Ca 0.34 1.74 0.03 0.00 -1.06 0.00 0.00 56.10 57.15 1wgv s TRP 85 Cb -0.02 0.60 0.00 0.00 -1.16 0.00 0.00 33.47 32.89 1wgv s TRP 85 CO 0.21 -0.49 -0.15 -1.12 -4.06 0.00 0.00 176.95 171.33 1wgv s SER 86 N 2.61 2.01 0.10 -2.66 0.01 -0.33 -5.00 113.70 110.44 1wgv s SER 86 Ca -0.04 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.75 1wgv s SER 86 Cb -0.09 -0.72 -0.06 0.00 0.21 0.00 0.00 66.02 65.36 1wgv s SER 86 CO -0.18 0.10 0.48 -0.22 0.41 0.00 0.00 173.24 173.83 1wgv s LEU 87 N 0.29 4.36 -0.05 2.44 1.98 -1.26 -1.59 118.68 124.84 1wgv s LEU 87 Ca -0.09 0.95 0.05 0.00 -2.89 0.00 0.00 54.13 52.16 1wgv s LEU 87 Cb -0.13 -3.08 -0.01 0.00 0.66 0.00 0.00 46.19 43.63 1wgv s LEU 87 CO 0.03 0.15 -0.21 -1.61 -1.89 0.00 0.00 176.35 172.82 1wgv s GLU 88 N -1.85 2.22 -0.07 1.98 2.02 -1.08 -4.96 118.70 116.97 1wgv s GLU 88 Ca 0.34 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 1wgv s GLU 88 Cb -0.15 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1wgv s GLU 88 CO 0.18 0.30 1.23 -1.25 0.02 0.00 0.00 175.26 175.74 1wgv s PRO 89 N -0.03 4.32 -1.40 0.39 0.04 -1.26 -3.39 135.00 133.68 1wgv s PRO 89 Ca -0.05 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 1wgv s PRO 89 Cb -0.13 -3.60 0.03 0.00 0.04 0.00 0.00 34.50 30.84 1wgv s PRO 89 CO 0.03 -0.51 0.77 0.41 0.04 0.00 0.00 177.00 177.75 1wgv n GLY 90 N 3.44 -0.36 0.00 0.56 0.00 -0.63 -4.85 105.19 103.35 1wgv n GLY 90 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.43 0.00 -3.83 1.61 4.76 -1.22 -4.95 118.16 110.10 1wgv n LYS 91 Ca -0.18 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.20 1wgv n LYS 91 Cb 0.63 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.82 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgv s VAL 93 N -2.66 5.21 -0.12 0.00 1.01 0.50 -2.63 120.40 121.71 1wgv s VAL 93 Ca 0.16 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1wgv s VAL 93 Cb -0.04 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1wgv s VAL 93 CO 0.07 0.59 -0.11 -0.22 0.00 0.00 0.00 175.10 175.43 1wgv s LEU 94 N -0.75 2.86 0.01 3.92 1.98 -0.62 -1.49 118.68 124.58 1wgv s LEU 94 Ca 0.13 -0.24 0.01 0.00 -2.89 0.00 0.00 54.13 51.13 1wgv s LEU 94 Cb -0.12 -1.64 -0.01 0.00 0.66 0.00 0.00 46.19 45.08 1wgv s LEU 94 CO 0.03 0.21 -0.02 -0.69 -1.89 0.00 0.00 176.35 173.98 1wgv s VAL 95 N 0.10 0.15 -0.10 1.68 1.01 -1.15 -1.19 120.40 120.91 1wgv s VAL 95 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1wgv s VAL 95 Cb -0.14 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1wgv s VAL 95 CO 0.04 -0.13 -0.15 0.20 0.00 0.00 0.00 175.10 175.06 1wgv s ASN 96 N -0.52 2.33 -0.27 3.32 0.01 -0.90 -3.44 114.94 115.46 1wgv s ASN 96 Ca -0.04 -0.40 -0.07 0.00 -0.71 0.00 0.00 52.86 51.63 1wgv s ASN 96 Cb -0.04 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.58 1wgv s ASN 96 CO -0.00 0.02 0.07 -0.76 -1.51 0.00 0.00 177.10 174.92 1wgv s LEU 97 N 0.95 3.65 -0.20 0.60 1.43 -1.16 -2.80 118.68 121.15 1wgv s LEU 97 Ca -0.08 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 1wgv s LEU 97 Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1wgv s LEU 97 CO -0.01 -0.12 0.58 -0.55 0.23 0.00 0.00 176.35 176.48 1wgv s SER 98 N 1.55 6.61 0.08 2.29 0.15 -1.26 -3.03 113.70 120.09 1wgv s SER 98 Ca 0.04 0.74 -0.31 0.00 0.70 0.00 0.00 55.95 57.13 1wgv s SER 98 Cb -0.16 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1wgv s SER 98 CO 0.03 -0.24 1.27 -0.54 1.20 0.00 0.00 173.24 174.95 1wgv s LYS 99 N 1.85 4.39 -0.30 5.44 1.02 -1.26 -0.73 119.74 130.15 1wgv s LYS 99 Ca 0.26 1.87 -0.03 0.00 0.02 0.00 0.00 55.97 58.09 1wgv s LYS 99 Cb -0.16 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1wgv s LYS 99 CO 0.10 -0.32 2.74 1.33 -0.92 0.00 0.00 175.35 178.27 1wgv n VAL 100 N 3.94 3.05 0.00 3.17 0.24 -1.26 -4.84 118.33 122.64 1wgv n VAL 100 Ca 0.10 -2.24 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 1wgv n VAL 100 Cb 0.45 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 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 1.13 0.26 2.80 7.63 0.00 -1.26 -5.02 105.19 110.73 1wgv n GLY 101 Ca 0.41 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1wgv n GLY 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgv s GLU 102 N -1.63 1.26 0.14 1.61 -1.05 -1.26 -5.10 118.70 112.68 1wgv s GLU 102 Ca 0.00 -1.82 0.06 0.00 -0.15 0.00 0.00 54.97 53.06 1wgv s GLU 102 Cb 0.00 -2.51 -0.04 0.00 -0.44 0.00 0.00 34.13 31.14 1wgv s GLU 102 CO 0.00 -1.07 -0.14 0.71 0.95 0.00 0.00 175.26 175.70 1wgv s TYR 103 N 0.68 1.48 -0.41 4.83 2.02 -1.26 -5.11 117.35 119.58 1wgv s TYR 103 Ca 0.14 -0.57 -0.18 0.00 -0.37 0.00 0.00 57.07 56.09 1wgv s TYR 103 Cb -0.22 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 1wgv s TYR 103 CO -0.08 0.19 0.51 1.67 -1.57 0.00 0.00 175.55 176.27 1wgv s TRP 104 N -2.37 3.14 -1.12 2.71 -2.14 -1.26 -4.98 118.94 112.91 1wgv s TRP 104 Ca 0.12 -0.14 -0.11 0.00 2.66 0.00 0.00 56.10 58.63 1wgv s TRP 104 Cb -0.04 -3.03 0.24 0.00 -3.10 0.00 0.00 33.47 27.54 1wgv s TRP 104 CO 0.04 -0.70 1.20 -1.58 -2.66 0.00 0.00 176.95 173.24 1wgv s TRP 105 N 2.39 3.97 -2.00 1.66 0.52 -1.26 -4.77 118.94 119.45 1wgv s TRP 105 Ca 0.17 -2.44 0.29 0.00 0.02 0.00 0.00 56.10 54.14 1wgv s TRP 105 Cb -0.16 -4.00 1.75 0.00 -1.15 0.00 0.00 33.47 29.91 1wgv s TRP 105 CO 0.15 -1.11 2.09 0.09 0.02 0.00 0.00 176.95 178.19 1wgv n ASN 106 N 3.83 0.00 -3.71 2.95 3.02 -1.26 -4.84 115.26 115.25 1wgv n ASN 106 Ca 0.27 -0.92 -0.04 0.00 -0.03 0.00 0.00 54.58 53.87 1wgv n ASN 106 Cb 0.41 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.00 -1.61 -0.23 5.41 0.00 -1.26 -2.15 121.76 119.92 1wgv s ALA 107 Ca 0.44 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1wgv s ALA 107 Cb 0.20 0.66 -0.10 0.00 0.00 0.00 0.00 23.12 23.88 1wgv s ALA 107 CO 0.34 -1.05 -0.28 -0.89 0.00 0.00 0.00 175.76 173.89 1wgv n ILE 108 N -0.49 1.51 -4.04 0.00 2.08 -1.26 -4.69 119.36 112.47 1wgv n ILE 108 Ca -0.06 -0.13 -0.25 0.00 0.56 0.00 0.00 62.75 62.87 1wgv n ILE 108 Cb 0.60 -2.09 -0.04 0.00 -0.75 0.00 0.00 39.64 37.36 1wgv n ILE 108 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wgv s LEU 109 N -7.73 3.99 0.38 1.39 1.43 -1.26 -0.38 118.68 116.49 1wgv s LEU 109 Ca -0.33 -0.06 0.28 0.00 -1.03 0.00 0.00 54.13 52.99 1wgv s LEU 109 Cb 0.09 -2.57 1.21 0.00 0.03 0.00 0.00 46.19 44.96 1wgv s LEU 109 CO 0.46 0.03 1.83 -0.33 0.23 0.00 0.00 176.35 178.57 1wgv h GLU 110 N 2.06 0.00 0.03 1.70 5.08 -1.42 -2.29 114.58 119.75 1wgv h GLU 110 Ca -0.48 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.66 1wgv h GLU 110 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wgv h GLU 110 CO 0.64 0.00 -0.98 0.78 -1.00 0.00 0.00 179.01 178.45 1wgv h GLY 111 N 1.78 0.24 -6.57 -3.84 0.00 -1.92 -3.43 103.07 89.34 1wgv h GLY 111 Ca 0.00 -0.49 -0.57 0.00 0.00 0.00 0.00 47.33 46.28 1wgv h GLY 111 CO 0.00 0.43 0.99 1.85 0.00 0.00 0.00 176.54 179.81 1wgv s GLU 112 N -3.03 3.71 0.99 4.80 2.56 -0.86 -4.99 118.70 121.88 1wgv s GLU 112 Ca -0.03 0.84 -0.16 0.00 0.00 0.00 0.00 54.97 55.62 1wgv s GLU 112 Cb 0.09 -3.94 -0.05 0.00 2.00 0.00 0.00 34.13 32.23 1wgv s GLU 112 CO 0.84 -1.40 -0.27 -0.85 -0.56 0.00 0.00 175.26 173.03 1wgv n GLU 113 N 7.82 -0.27 -2.45 4.30 0.28 -1.26 -4.77 120.64 124.28 1wgv n GLU 113 Ca 0.14 -0.06 -0.42 0.00 -0.16 0.00 0.00 57.16 56.66 1wgv n GLU 113 Cb 0.48 -1.43 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wgv s PRO 114 N -2.84 4.39 0.84 3.44 0.04 -1.26 -4.73 135.00 134.87 1wgv s PRO 114 Ca 0.48 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.13 1wgv s PRO 114 Cb -0.17 -3.48 0.10 0.00 0.04 0.00 0.00 34.50 30.99 1wgv s PRO 114 CO 0.73 -0.37 1.11 0.96 0.04 0.00 0.00 177.00 179.48 1wgv s ILE 115 N 1.75 2.84 -0.39 0.56 -4.36 -0.91 -5.00 121.20 115.68 1wgv s ILE 115 Ca 0.57 0.27 0.11 0.00 -0.26 0.00 0.00 60.65 61.34 1wgv s ILE 115 Cb -0.27 -2.59 0.38 0.00 1.25 0.00 0.00 42.46 41.23 1wgv s ILE 115 CO 0.25 -0.35 1.07 0.47 0.24 0.00 0.00 174.94 176.62 1wgv n ASP 116 N -3.81 -0.69 -3.81 4.36 9.92 -1.26 -4.99 116.55 116.27 1wgv n ASP 116 Ca 0.10 -2.96 -0.30 0.00 -0.53 0.00 0.00 54.79 51.10 1wgv n ASP 116 Cb 0.53 0.57 0.23 0.00 -0.64 0.00 0.00 41.12 41.81 1wgv n ASP 116 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wgv s ILE 117 N -1.09 1.70 -0.45 0.53 1.09 -1.26 -4.92 121.20 116.80 1wgv s ILE 117 Ca 0.27 0.00 -0.28 0.00 -1.10 0.00 0.00 60.65 59.53 1wgv s ILE 117 Cb 0.37 -2.67 0.01 0.00 -1.06 0.00 0.00 42.46 39.11 1wgv s ILE 117 CO -0.05 0.00 1.47 -0.62 -0.10 0.00 0.00 174.94 175.64 1wgv s ASP 118 N -4.30 6.19 -0.56 3.58 -1.08 -1.26 -4.93 116.67 114.31 1wgv s ASP 118 Ca 0.73 0.71 -0.27 0.00 -0.52 0.00 0.00 52.55 53.20 1wgv s ASP 118 Cb -0.06 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 1wgv s ASP 118 CO 0.55 -1.57 1.78 -0.55 0.52 0.00 0.00 175.17 175.90 1wgv s SER 119 N 4.45 5.50 0.19 -0.34 0.15 -1.26 -4.97 113.70 117.42 1wgv s SER 119 Ca 0.61 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1wgv s SER 119 Cb -0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1wgv s SER 119 CO 0.30 -2.17 0.00 0.61 1.20 0.00 0.00 173.24 173.18 1wgv n GLY 120 N 5.59 -1.73 3.30 9.45 0.00 -1.26 -4.83 105.19 115.72 1wgv n GLY 120 Ca 0.19 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1wgv n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgv n PRO 121 N -0.25 2.30 -3.98 1.61 -0.04 -1.26 -4.84 135.00 128.54 1wgv n PRO 121 Ca 0.00 -2.60 -0.09 0.00 -0.04 0.00 0.00 63.50 60.77 1wgv n PRO 121 Cb 0.00 -3.40 -0.07 0.00 -0.04 0.00 0.00 33.50 29.99 1wgv n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgv s SER 122 N 4.83 0.08 0.25 3.54 0.15 -1.26 -5.14 113.70 116.16 1wgv s SER 122 Ca 0.57 -0.91 -0.30 0.00 0.70 0.00 0.00 55.95 56.02 1wgv s SER 122 Cb 0.07 0.41 -0.09 0.00 -1.71 0.00 0.00 66.02 64.70 1wgv s SER 122 CO 0.07 -0.86 1.31 -0.44 1.20 0.00 0.00 173.24 174.52 1wgv s SER 123 N -2.97 6.85 0.00 5.45 0.01 -1.26 -5.14 113.70 116.64 1wgv s SER 123 Ca 0.17 2.51 0.00 0.00 1.31 0.00 0.00 55.95 59.95 1wgv s SER 123 Cb 0.04 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wgv s SER 123 CO -0.00 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.73