#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 3.66 0.42 1.61 0.15 -1.26 -5.07 113.70 113.21 1wgv s SER 2 Ca 0.00 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.25 1wgv s SER 2 Cb 0.00 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1wgv s SER 2 CO 0.00 -0.30 0.00 -0.24 1.20 0.00 0.00 173.24 173.90 1wgv n SER 3 N 3.84 -5.74 -4.65 5.45 2.88 -1.26 -4.86 113.62 109.28 1wgv n SER 3 Ca 0.07 1.21 -0.37 0.00 -1.33 0.00 0.00 58.87 58.45 1wgv n SER 3 Cb 0.36 -3.31 -0.09 0.00 -0.75 0.00 0.00 64.21 60.42 1wgv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgv s GLY 4 N -5.22 1.98 -0.58 0.46 0.00 -1.26 -5.00 107.32 97.70 1wgv s GLY 4 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 1wgv s GLY 4 CO 0.00 0.48 2.43 -1.26 0.00 0.00 0.00 173.10 174.75 1wgv n SER 5 N 4.44 1.75 -4.21 1.64 2.88 -1.26 -4.89 113.62 113.98 1wgv n SER 5 Ca -0.14 -0.06 -0.12 0.00 -1.33 0.00 0.00 58.87 57.21 1wgv n SER 5 Cb 0.52 -1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 1wgv n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgv s SER 6 N 9.96 1.46 -0.34 -3.46 0.01 -1.26 -5.13 113.70 114.94 1wgv s SER 6 Ca 1.11 -1.00 -0.07 0.00 1.31 0.00 0.00 55.95 57.31 1wgv s SER 6 Cb -0.65 0.04 0.04 0.00 0.21 0.00 0.00 66.02 65.66 1wgv s SER 6 CO 0.39 -0.39 0.11 -0.83 0.41 0.00 0.00 173.24 172.93 1wgv s GLY 7 N -3.06 1.85 -0.06 3.44 0.00 -1.26 -4.96 107.32 103.27 1wgv s GLY 7 Ca 0.14 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 1wgv s GLY 7 CO -0.02 0.77 -0.10 -1.06 0.00 0.00 0.00 173.10 172.69 1wgv n GLN 8 N 4.84 0.17 -2.49 2.90 6.02 -1.26 -5.06 117.38 122.49 1wgv n GLN 8 Ca -0.13 0.14 -0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1wgv n GLN 8 Cb 0.45 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.83 1wgv n GLN 8 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1wgv n LYS 9 N -3.14 -0.90 0.00 -1.09 3.00 -1.26 -5.06 118.16 109.71 1wgv n LYS 9 Ca -0.04 1.17 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 1wgv n LYS 9 Cb 0.15 -4.24 0.00 0.00 0.00 0.00 0.00 35.03 30.95 1wgv n LYS 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1wgv n ASN 10 N -1.41 0.00 0.02 3.14 6.94 -1.26 -5.07 115.26 117.62 1wgv n ASN 10 Ca 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.47 1wgv n ASN 10 Cb 0.48 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.83 1wgv n ASN 10 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1wgv h PRO 11 N 0.00 -0.14 0.00 -0.53 0.13 -2.05 -3.50 132.00 125.92 1wgv h PRO 11 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wgv h PRO 11 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wgv h PRO 11 CO 0.00 0.34 0.00 -0.40 -0.23 0.00 0.00 178.00 177.71 1wgv n ASP 12 N -4.84 0.00 -3.42 1.44 5.75 -1.26 -5.07 116.55 109.14 1wgv n ASP 12 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.43 1wgv n ASP 12 Cb 0.27 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.39 1wgv n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1wgv n SER 13 N 0.00 -5.79 0.11 -1.12 3.41 -1.26 -4.93 113.62 104.03 1wgv n SER 13 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wgv n SER 13 Cb 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.34 1wgv n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wgv n TYR 14 N 0.24 -1.63 -4.63 7.33 4.19 -1.26 -5.08 117.16 116.33 1wgv n TYR 14 Ca -0.06 0.29 -0.33 0.00 3.31 0.00 0.00 57.90 61.10 1wgv n TYR 14 Cb 0.63 0.41 -0.15 0.00 0.49 0.00 0.00 39.34 40.71 1wgv n TYR 14 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1wgv s ASN 15 N -5.20 3.56 0.27 2.98 -0.87 -1.26 -5.04 114.94 109.38 1wgv s ASN 15 Ca 0.00 -0.48 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 1wgv s ASN 15 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 41.25 39.69 1wgv s ASN 15 CO 0.00 0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.24 1wgv n GLY 16 N 3.96 -1.47 0.92 0.66 0.00 -1.26 -4.97 105.19 103.03 1wgv n GLY 16 Ca -0.19 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.36 -2.39 -0.93 4.61 0.00 -1.26 -4.91 120.51 113.27 1wgv n ALA 17 Ca -0.01 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1wgv n ALA 17 Cb 0.61 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1wgv n ALA 17 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wgv n VAL 18 N -3.37 0.00 -3.99 0.00 3.14 -1.25 -4.93 118.33 107.93 1wgv n VAL 18 Ca -0.01 0.17 0.03 0.00 -2.96 0.00 0.00 64.34 61.57 1wgv n VAL 18 Cb 0.43 -0.43 0.01 0.00 -1.06 0.00 0.00 33.84 32.78 1wgv n VAL 18 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1wgv n ARG 19 N -2.98 0.10 -2.48 1.45 0.63 -1.25 -4.96 116.66 107.17 1wgv n ARG 19 Ca -0.01 -0.53 -0.43 0.00 -0.92 0.00 0.00 57.85 55.96 1wgv n ARG 19 Cb 0.59 0.91 0.00 0.00 0.45 0.00 0.00 32.46 34.42 1wgv n ARG 19 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1wgv n GLU 20 N -0.72 3.38 0.00 -0.14 4.71 -1.26 -3.93 120.64 122.68 1wgv n GLU 20 Ca 0.04 -3.47 0.00 0.00 -0.01 0.00 0.00 57.16 53.72 1wgv n GLU 20 Cb 0.44 -3.09 0.00 0.00 -1.01 0.00 0.00 31.44 27.78 1wgv n GLU 20 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1wgv n ASN 21 N 5.34 0.00 -3.69 1.62 5.15 -1.26 -5.13 115.26 117.29 1wgv n ASN 21 Ca 0.42 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.29 1wgv n ASN 21 Cb 0.40 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.55 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 -0.66 0.40 1.20 -0.85 -1.25 -4.66 117.35 111.52 1wgv s TYR 22 Ca 0.00 1.44 -0.10 0.00 -0.52 0.00 0.00 57.07 57.89 1wgv s TYR 22 Cb 0.00 0.31 -0.06 0.00 0.38 0.00 0.00 41.96 42.58 1wgv s TYR 22 CO 0.00 -0.35 0.76 0.99 -1.52 0.00 0.00 175.55 175.43 1wgv s THR 23 N 1.09 4.79 0.18 -3.49 2.01 -0.99 -3.85 115.64 115.38 1wgv s THR 23 Ca -0.07 0.60 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 1wgv s THR 23 Cb -0.06 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1wgv s THR 23 CO -0.10 -0.51 0.60 -1.66 -0.69 0.00 0.00 174.62 172.26 1wgv s TRP 24 N -2.36 -0.43 0.09 4.92 1.48 -1.26 -1.43 118.94 119.95 1wgv s TRP 24 Ca 0.51 0.17 -0.14 0.00 -1.06 0.00 0.00 56.10 55.58 1wgv s TRP 24 Cb -0.10 0.55 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 1wgv s TRP 24 CO 0.31 -0.91 0.32 -1.12 -4.06 0.00 0.00 176.95 171.50 1wgv s SER 25 N -2.79 -0.11 -0.17 -2.66 0.01 -0.91 -3.94 113.70 103.13 1wgv s SER 25 Ca 0.03 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.92 1wgv s SER 25 Cb -0.02 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 1wgv s SER 25 CO -0.09 -0.74 -0.08 0.00 0.41 0.00 0.00 173.24 172.74 1wgv s GLN 26 N -3.39 3.45 0.50 12.44 1.03 -1.26 -2.82 119.66 129.61 1wgv s GLN 26 Ca 0.01 -0.63 0.05 0.00 0.04 0.00 0.00 55.36 54.83 1wgv s GLN 26 Cb 0.02 -2.82 0.00 0.00 0.03 0.00 0.00 33.01 30.24 1wgv s GLN 26 CO -0.09 0.09 0.23 -0.51 -2.54 0.00 0.00 175.29 172.47 1wgv s ASP 27 N 0.72 4.43 0.15 12.60 1.01 -0.36 -5.03 116.67 130.20 1wgv s ASP 27 Ca -0.04 -1.32 -0.25 0.00 0.71 0.00 0.00 52.55 51.65 1wgv s ASP 27 Cb -0.15 0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.97 1wgv s ASP 27 CO 0.02 -0.89 1.33 0.00 0.21 0.00 0.00 175.17 175.84 1wgv n TYR 28 N -1.49 -0.33 -3.01 4.23 9.36 -1.26 -3.60 117.16 121.07 1wgv n TYR 28 Ca -0.07 1.08 -0.16 0.00 3.32 0.00 0.00 57.90 62.07 1wgv n TYR 28 Cb 0.65 -0.60 -0.01 0.00 -0.63 0.00 0.00 39.34 38.75 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 -5.11 -0.31 0.00 2.97 5.66 -1.26 -4.93 114.28 111.30 1wgv n THR 29 Ca 0.03 -3.10 0.00 0.00 -3.05 0.00 0.00 64.05 57.93 1wgv n THR 29 Cb 0.24 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1wgv n THR 29 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1wgv n ASP 30 N 1.12 0.00 -4.20 1.09 -0.08 -1.24 -4.64 116.55 108.61 1wgv n ASP 30 Ca 0.16 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.31 1wgv n ASP 30 Cb 0.60 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.96 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wgv s LEU 31 N 0.00 2.49 -0.23 -2.67 1.02 -1.20 -1.22 118.68 116.86 1wgv s LEU 31 Ca 0.00 -0.95 -0.03 0.00 0.02 0.00 0.00 54.13 53.17 1wgv s LEU 31 Cb 0.00 -0.24 0.10 0.00 0.02 0.00 0.00 46.19 46.07 1wgv s LEU 31 CO 0.00 -0.35 0.21 -1.61 0.02 0.00 0.00 176.35 174.61 1wgv s GLU 32 N -3.48 0.20 -0.19 1.70 2.02 -1.13 -3.57 118.70 114.27 1wgv s GLU 32 Ca 0.12 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.07 1wgv s GLU 32 Cb 0.02 -1.16 -0.00 0.00 0.10 0.00 0.00 34.13 33.08 1wgv s GLU 32 CO -0.01 -0.79 -0.10 0.54 0.02 0.00 0.00 175.26 174.91 1wgv s VAL 33 N 2.28 2.98 -0.13 2.63 0.11 -1.25 -2.14 120.40 124.88 1wgv s VAL 33 Ca 0.07 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.47 1wgv s VAL 33 Cb -0.15 -2.31 -0.02 0.00 -1.53 0.00 0.00 36.38 32.36 1wgv s VAL 33 CO -0.20 0.48 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.84 1wgv s ARG 34 N 1.15 3.36 -0.15 1.54 3.00 -0.51 -3.43 118.95 123.90 1wgv s ARG 34 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 55.73 55.14 1wgv s ARG 34 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 34.95 32.06 1wgv s ARG 34 CO -0.03 0.33 -0.10 0.08 0.00 0.00 0.00 175.30 175.57 1wgv s VAL 35 N 0.10 3.18 0.20 3.52 1.01 -0.80 -2.36 120.40 125.25 1wgv s VAL 35 Ca -0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1wgv s VAL 35 Cb -0.14 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 1wgv s VAL 35 CO 0.04 0.50 1.11 -2.16 0.00 0.00 0.00 175.10 174.59 1wgv s PRO 36 N 0.62 4.59 0.25 2.72 0.04 -1.26 0.19 135.00 142.15 1wgv s PRO 36 Ca -0.06 1.75 0.12 0.00 0.04 0.00 0.00 61.00 62.85 1wgv s PRO 36 Cb -0.15 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1wgv s PRO 36 CO 0.03 0.09 -0.21 0.14 0.04 0.00 0.00 177.00 177.09 1wgv s VAL 37 N -0.41 2.40 1.07 -0.36 -7.23 -1.01 -4.89 120.40 109.97 1wgv s VAL 37 Ca 0.49 -2.30 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 1wgv s VAL 37 Cb -0.30 -2.24 0.23 0.00 0.56 0.00 0.00 36.38 34.64 1wgv s VAL 37 CO 0.36 -0.34 1.21 -2.16 -0.31 0.00 0.00 175.10 173.87 1wgv s PRO 38 N -3.30 -0.17 -0.02 4.82 0.04 -1.26 -4.45 135.00 130.66 1wgv s PRO 38 Ca 0.27 -0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.16 1wgv s PRO 38 Cb -0.06 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.95 1wgv s PRO 38 CO 0.13 -2.99 1.08 1.63 0.04 0.00 0.00 177.00 176.89 1wgv n LYS 39 N -4.22 1.66 0.00 4.56 4.01 -1.26 -2.87 118.16 120.04 1wgv n LYS 39 Ca 0.14 -0.80 0.03 0.00 -0.51 0.00 0.00 58.31 57.16 1wgv n LYS 39 Cb 0.59 -1.31 0.01 0.00 -0.51 0.00 0.00 35.03 33.81 1wgv n LYS 39 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1wgv n HIS 40 N 0.14 0.00 -3.59 2.13 1.44 -1.26 -4.83 115.22 109.25 1wgv n HIS 40 Ca 0.07 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.38 1wgv n HIS 40 Cb 0.27 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.27 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 -0.82 4.66 0.00 0.61 1.01 -1.14 -4.82 120.40 119.91 1wgv s VAL 41 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1wgv s VAL 41 Cb 0.05 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1wgv s VAL 41 CO 0.12 -0.20 0.00 1.33 0.00 0.00 0.00 175.10 176.36 1wgv n VAL 42 N 5.01 0.00 -2.66 2.92 0.24 -1.26 -1.74 118.33 120.84 1wgv n VAL 42 Ca -0.12 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.86 1wgv n VAL 42 Cb 0.47 -0.36 -0.05 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.56 4.08 0.00 7.34 1.02 -1.26 -4.30 119.74 125.06 1wgv s LYS 43 Ca 0.00 0.99 0.29 0.00 0.02 0.00 0.00 55.97 57.27 1wgv s LYS 43 Cb 0.00 -2.19 1.27 0.00 -0.52 0.00 0.00 37.83 36.39 1wgv s LYS 43 CO 0.00 -0.12 1.92 0.41 -0.92 0.00 0.00 175.35 176.64 1wgv n GLY 44 N -1.05 -1.32 0.06 -3.33 0.00 -1.26 -2.88 105.19 95.42 1wgv n GLY 44 Ca 0.06 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.34 0.20 0.15 1.61 2.85 -1.26 -3.13 118.16 117.23 1wgv n LYS 45 Ca 0.10 0.12 0.08 0.00 -1.05 0.00 0.00 58.31 57.57 1wgv n LYS 45 Cb 0.30 -1.69 0.07 0.00 -0.65 0.00 0.00 35.03 33.05 1wgv n LYS 45 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1wgv h GLN 46 N 0.00 0.00 -6.64 -1.58 4.20 -1.92 -3.46 115.11 105.72 1wgv h GLN 46 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 1wgv h GLN 46 Cb 0.67 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.28 1wgv h GLN 46 CO 0.00 0.16 -0.77 0.14 -0.67 0.00 0.00 178.83 177.68 1wgv s VAL 47 N -3.15 3.07 -0.09 -0.54 -7.23 -1.18 0.19 120.40 111.46 1wgv s VAL 47 Ca 0.03 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1wgv s VAL 47 Cb 0.07 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1wgv s VAL 47 CO 0.73 0.12 -0.15 -0.44 -0.31 0.00 0.00 175.10 175.05 1wgv s SER 48 N -2.11 3.86 -0.04 4.85 0.01 0.36 -4.90 113.70 115.72 1wgv s SER 48 Ca 0.19 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1wgv s SER 48 Cb -0.11 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 64.90 1wgv s SER 48 CO 0.11 0.24 -0.06 -0.69 0.41 0.00 0.00 173.24 173.25 1wgv s VAL 49 N -0.09 0.67 -0.11 3.43 1.01 -1.26 -2.36 120.40 121.68 1wgv s VAL 49 Ca -0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1wgv s VAL 49 Cb -0.14 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1wgv s VAL 49 CO 0.04 0.25 -0.12 0.00 0.00 0.00 0.00 175.10 175.26 1wgv s ALA 50 N 0.74 1.55 -0.15 5.51 0.00 -1.20 -4.99 121.76 123.23 1wgv s ALA 50 Ca -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1wgv s ALA 50 Cb -0.14 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1wgv s ALA 50 CO 0.01 -0.21 -0.17 -0.51 0.00 0.00 0.00 175.76 174.88 1wgv s LEU 51 N 1.25 1.86 0.06 0.00 1.43 -1.26 -3.48 118.68 118.55 1wgv s LEU 51 Ca -0.02 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1wgv s LEU 51 Cb -0.14 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1wgv s LEU 51 CO -0.05 -0.01 0.00 -1.20 0.23 0.00 0.00 176.35 175.33 1wgv n SER 52 N 4.52 0.38 0.00 2.29 7.64 -1.25 -5.00 113.62 122.20 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 0.50 -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 -2.93 0.00 -1.35 6.43 3.41 -1.26 -4.58 113.62 113.33 1wgv n SER 53 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1wgv n SER 53 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 2.48 -3.67 4.04 2.88 -1.26 -0.93 113.62 117.17 1wgv n SER 54 Ca 0.00 -3.38 -0.14 0.00 -1.33 0.00 0.00 58.87 54.01 1wgv n SER 54 Cb 0.00 -0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 62.95 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 -3.20 -0.34 -0.04 -3.46 1.04 -1.26 -0.30 113.70 106.14 1wgv s SER 55 Ca 0.40 0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.88 1wgv s SER 55 Cb 0.38 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.94 1wgv s SER 55 CO -0.05 -0.56 0.35 -0.51 0.98 0.00 0.00 173.24 173.45 1wgv s ILE 56 N -1.69 0.04 -0.06 -1.02 -1.16 -1.04 -3.92 121.20 112.35 1wgv s ILE 56 Ca -0.10 -0.35 -0.04 0.00 -0.51 0.00 0.00 60.65 59.66 1wgv s ILE 56 Cb -0.02 -0.63 0.03 0.00 0.61 0.00 0.00 42.46 42.45 1wgv s ILE 56 CO 0.03 -0.19 0.15 -0.60 -2.81 0.00 0.00 174.94 171.52 1wgv s ARG 57 N -1.03 0.12 -0.21 3.50 3.52 -1.23 -2.17 118.95 121.45 1wgv s ARG 57 Ca -0.11 0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.77 1wgv s ARG 57 Cb -0.04 -0.08 0.07 0.00 -1.56 0.00 0.00 34.95 33.34 1wgv s ARG 57 CO 0.04 -0.11 0.08 0.08 -0.81 0.00 0.00 175.30 174.57 1wgv s VAL 58 N 0.77 0.25 0.18 7.11 1.01 0.51 -3.21 120.40 127.01 1wgv s VAL 58 Ca -0.06 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1wgv s VAL 58 Cb -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1wgv s VAL 58 CO -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 175.10 174.57 1wgv s ALA 59 N 1.97 1.78 0.01 5.51 0.00 -1.00 0.74 121.76 130.77 1wgv s ALA 59 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1wgv s ALA 59 Cb -0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1wgv s ALA 59 CO -0.15 0.02 -0.02 0.00 0.00 0.00 0.00 175.76 175.62 1wgv s MET 60 N -3.56 0.16 0.04 0.00 0.23 0.22 -0.49 119.30 115.90 1wgv s MET 60 Ca 0.19 -0.31 -0.30 0.00 -1.03 0.00 0.00 55.69 54.24 1wgv s MET 60 Cb -0.00 0.05 -0.05 0.00 -1.53 0.00 0.00 34.83 33.29 1wgv s MET 60 CO 0.04 -0.02 1.19 -0.51 -2.03 0.00 0.00 175.02 173.69 1wgv s LEU 61 N -0.73 4.36 -0.12 0.18 1.43 0.51 0.11 118.68 124.42 1wgv s LEU 61 Ca -0.08 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 1wgv s LEU 61 Cb -0.05 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1wgv s LEU 61 CO -0.00 -0.48 -0.22 -0.62 0.23 0.00 0.00 176.35 175.26 1wgv n GLU 62 N 4.14 0.37 0.00 1.70 -0.58 -0.81 -4.91 120.64 120.56 1wgv n GLU 62 Ca 0.09 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1wgv n GLU 62 Cb 0.47 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1wgv n GLU 62 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wgv n GLU 63 N -3.98 0.00 0.04 3.49 1.02 -1.26 -4.92 120.64 115.02 1wgv n GLU 63 Ca -0.09 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.19 1wgv n GLU 63 Cb 0.32 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 32.23 1wgv n GLU 63 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wgv n ASN 64 N -1.03 0.34 0.00 1.62 4.13 -1.26 -4.92 115.26 114.14 1wgv n ASN 64 Ca 0.00 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.68 1wgv n ASN 64 Cb 0.00 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 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 1.43 3.55 3.74 7.41 0.00 -1.26 -5.20 105.19 114.86 1wgv n GLY 65 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 4.34 2.01 0.02 1.61 1.03 -1.26 -1.92 118.70 124.53 1wgv s GLU 66 Ca 0.00 -1.38 0.01 0.00 0.03 0.00 0.00 54.97 53.63 1wgv s GLU 66 Cb 0.00 0.57 -0.02 0.00 -0.80 0.00 0.00 34.13 33.89 1wgv s GLU 66 CO 0.00 -0.91 -0.04 0.50 -1.33 0.00 0.00 175.26 173.48 1wgv s ARG 67 N -2.97 0.33 -0.64 -4.83 3.52 0.12 -4.80 118.95 109.67 1wgv s ARG 67 Ca 0.18 -0.50 -0.17 0.00 -0.13 0.00 0.00 55.73 55.12 1wgv s ARG 67 Cb -0.04 -0.08 0.14 0.00 -1.56 0.00 0.00 34.95 33.42 1wgv s ARG 67 CO 0.12 0.00 0.66 0.08 -0.81 0.00 0.00 175.30 175.35 1wgv s VAL 68 N -1.04 5.16 0.06 7.11 1.01 -1.26 0.71 120.40 132.16 1wgv s VAL 68 Ca -0.10 -1.58 -0.37 0.00 0.00 0.00 0.00 61.98 59.94 1wgv s VAL 68 Cb -0.07 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.66 1wgv s VAL 68 CO -0.00 -1.02 1.58 -0.07 0.00 0.00 0.00 175.10 175.59 1wgv h LEU 69 N 9.04 -1.08 -8.23 3.92 3.38 -0.02 -3.45 115.31 118.86 1wgv h LEU 69 Ca -0.18 0.04 -0.41 0.00 0.09 0.00 0.00 57.88 57.42 1wgv h LEU 69 Cb 1.08 0.28 -0.25 0.00 0.09 0.00 0.00 40.66 41.86 1wgv h LEU 69 CO 1.00 -0.76 -0.78 -0.32 0.09 0.00 0.00 178.44 177.66 1wgv s MET 70 N -6.00 0.85 -0.19 1.13 0.00 -0.44 -4.76 119.30 109.88 1wgv s MET 70 Ca -0.19 -0.65 -0.30 0.00 0.00 0.00 0.00 55.69 54.55 1wgv s MET 70 Cb 0.02 -0.82 0.15 0.00 0.00 0.00 0.00 34.83 34.18 1wgv s MET 70 CO 0.60 0.21 1.12 -2.00 0.00 0.00 0.00 175.02 174.95 1wgv s GLU 71 N -0.94 0.41 0.00 4.11 -6.30 -1.26 0.19 118.70 114.91 1wgv s GLU 71 Ca 0.01 0.04 0.00 0.00 -2.50 0.00 0.00 54.97 52.52 1wgv s GLU 71 Cb -0.07 0.19 0.00 0.00 0.00 0.00 0.00 34.13 34.25 1wgv s GLU 71 CO 0.01 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1wgv n GLY 72 N 0.50 3.96 3.63 -1.50 0.00 -0.92 -5.02 105.19 105.84 1wgv n GLY 72 Ca -0.06 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.74 3.86 1.07 1.61 1.02 -1.26 -2.49 119.74 120.80 1wgv s LYS 73 Ca 0.00 1.29 -0.23 0.00 0.02 0.00 0.00 55.97 57.05 1wgv s LYS 73 Cb 0.00 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 1wgv s LYS 73 CO 0.00 -1.20 -0.65 1.28 -0.92 0.00 0.00 175.35 173.87 1wgv n LEU 74 N 7.89 -2.62 0.07 3.17 4.77 0.59 -1.80 117.00 129.06 1wgv n LEU 74 Ca 0.16 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 1wgv n LEU 74 Cb 0.46 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.64 1wgv n LEU 74 CO 0.64 -2.83 -0.49 0.71 -1.33 0.00 0.00 177.39 174.09 1wgv h THR 75 N -1.65 0.98 -3.11 -5.08 1.35 -1.70 -3.38 112.91 100.32 1wgv h THR 75 Ca -0.48 -2.58 -0.48 0.00 -0.55 0.00 0.00 66.41 62.33 1wgv h THR 75 Cb 1.37 2.76 -0.14 0.00 -1.73 0.00 0.00 68.15 70.41 1wgv h THR 75 CO 0.31 0.84 -0.56 -1.00 -0.25 0.00 0.00 175.52 174.86 1wgv s HIS 76 N -2.59 1.77 0.62 4.73 3.76 -1.26 -5.01 115.29 117.31 1wgv s HIS 76 Ca -0.14 -1.19 -0.09 0.00 -0.15 0.00 0.00 55.06 53.48 1wgv s HIS 76 Cb 0.06 -1.10 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 1wgv s HIS 76 CO 0.85 -0.26 0.99 0.15 -0.85 0.00 0.00 174.74 175.63 1wgv s LYS 77 N -3.83 3.29 0.04 1.40 1.02 -1.26 -4.29 119.74 116.13 1wgv s LYS 77 Ca 0.32 0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.79 1wgv s LYS 77 Cb 0.06 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1wgv s LYS 77 CO 0.15 -0.65 0.03 0.44 -0.92 0.00 0.00 175.35 174.40 1wgv n ILE 78 N -2.72 0.00 -3.73 2.17 -6.64 -0.10 -4.06 119.36 104.29 1wgv n ILE 78 Ca 0.05 -0.31 -0.30 0.00 -1.77 0.00 0.00 62.75 60.42 1wgv n ILE 78 Cb 0.56 0.15 -0.09 0.00 -1.44 0.00 0.00 39.64 38.81 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 -2.66 3.57 -0.29 7.28 2.85 -0.63 -4.80 115.26 120.59 1wgv n ASN 79 Ca 0.01 -3.24 0.20 0.00 -0.11 0.00 0.00 54.58 51.43 1wgv n ASN 79 Cb 0.08 -0.84 0.38 0.00 1.24 0.00 0.00 39.78 40.64 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 1.83 -0.36 0.05 -0.44 -2.24 -1.26 0.13 114.28 111.99 1wgv n THR 80 Ca 0.22 1.84 -0.11 0.00 -2.27 0.00 0.00 64.05 63.73 1wgv n THR 80 Cb 0.36 -2.82 -0.05 0.00 -2.10 0.00 0.00 70.33 65.72 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 -0.40 -0.04 -0.78 5.08 -1.94 -1.57 114.58 114.94 1wgv h GLU 81 Ca 0.63 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.89 1wgv h GLU 81 Cb 1.49 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1wgv h GLU 81 CO -0.75 -0.26 -0.54 0.77 -1.00 0.00 0.00 179.01 177.23 1wgv h SER 82 N -0.41 0.12 -3.57 1.42 0.02 0.72 -3.43 113.55 108.42 1wgv h SER 82 Ca 0.07 -0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.44 1wgv h SER 82 Cb 0.50 -0.03 0.03 0.00 0.14 0.00 0.00 62.40 63.03 1wgv h SER 82 CO -0.25 0.64 0.56 -0.44 -1.14 0.00 0.00 176.83 176.21 1wgv s SER 83 N -6.88 7.06 0.49 3.07 0.01 0.28 -4.81 113.70 112.92 1wgv s SER 83 Ca -0.03 2.32 0.02 0.00 1.31 0.00 0.00 55.95 59.56 1wgv s SER 83 Cb 0.13 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1wgv s SER 83 CO 0.77 -0.37 0.04 -1.48 0.41 0.00 0.00 173.24 172.61 1wgv s LEU 84 N -0.62 2.19 -0.30 2.44 0.05 -1.12 -4.80 118.68 116.52 1wgv s LEU 84 Ca 0.51 -1.68 -0.13 0.00 0.05 0.00 0.00 54.13 52.88 1wgv s LEU 84 Cb -0.34 -0.56 0.14 0.00 -2.05 0.00 0.00 46.19 43.38 1wgv s LEU 84 CO 0.39 -0.90 0.82 -1.66 -0.55 0.00 0.00 176.35 174.45 1wgv s TRP 85 N -2.96 -0.97 -0.06 3.48 1.48 -1.26 -2.22 118.94 116.43 1wgv s TRP 85 Ca 0.08 1.73 0.02 0.00 -1.06 0.00 0.00 56.10 56.88 1wgv s TRP 85 Cb 0.01 0.58 0.01 0.00 -1.16 0.00 0.00 33.47 32.92 1wgv s TRP 85 CO 0.05 -0.48 -0.11 -1.12 -4.06 0.00 0.00 176.95 171.23 1wgv s SER 86 N 2.39 1.62 0.08 -2.66 0.01 -0.39 -5.02 113.70 109.72 1wgv s SER 86 Ca -0.06 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.77 1wgv s SER 86 Cb -0.08 -0.71 -0.06 0.00 0.21 0.00 0.00 66.02 65.37 1wgv s SER 86 CO -0.18 0.03 0.52 -0.22 0.41 0.00 0.00 173.24 173.80 1wgv s LEU 87 N 0.62 4.46 -0.07 2.44 1.98 -1.26 -2.18 118.68 124.66 1wgv s LEU 87 Ca -0.13 1.13 0.05 0.00 -2.89 0.00 0.00 54.13 52.29 1wgv s LEU 87 Cb -0.15 -2.93 -0.01 0.00 0.66 0.00 0.00 46.19 43.77 1wgv s LEU 87 CO 0.03 0.24 -0.24 -1.61 -1.89 0.00 0.00 176.35 172.88 1wgv s GLU 88 N -1.36 2.74 -0.02 1.98 2.02 -1.09 -4.99 118.70 117.98 1wgv s GLU 88 Ca 0.30 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 54.11 1wgv s GLU 88 Cb -0.17 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1wgv s GLU 88 CO 0.18 0.32 1.20 -1.25 0.02 0.00 0.00 175.26 175.73 1wgv s PRO 89 N -0.01 4.38 -1.49 0.39 0.04 -1.26 -3.31 135.00 133.73 1wgv s PRO 89 Ca -0.08 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1wgv s PRO 89 Cb -0.15 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 30.96 1wgv s PRO 89 CO 0.05 -0.38 0.89 0.41 0.04 0.00 0.00 177.00 178.01 1wgv n GLY 90 N 3.32 -0.44 0.00 0.56 0.00 -0.71 -4.84 105.19 103.08 1wgv n GLY 90 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.58 0.00 -3.83 1.61 5.02 -1.21 -4.97 118.16 110.20 1wgv n LYS 91 Ca -0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1wgv n LYS 91 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.59 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 -2.50 5.39 -0.09 0.00 1.01 0.50 -2.69 120.40 122.03 1wgv s VAL 93 Ca 0.17 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1wgv s VAL 93 Cb -0.04 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1wgv s VAL 93 CO 0.08 0.37 -0.15 -0.22 0.00 0.00 0.00 175.10 175.17 1wgv s LEU 94 N -1.79 1.75 0.00 3.92 1.98 -0.93 -1.91 118.68 121.70 1wgv s LEU 94 Ca 0.26 -0.40 0.02 0.00 -2.89 0.00 0.00 54.13 51.12 1wgv s LEU 94 Cb -0.13 -1.04 -0.01 0.00 0.66 0.00 0.00 46.19 45.68 1wgv s LEU 94 CO 0.16 0.05 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.93 1wgv s VAL 95 N 0.75 0.38 -0.17 1.68 1.01 -1.22 -1.27 120.40 121.57 1wgv s VAL 95 Ca -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1wgv s VAL 95 Cb -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1wgv s VAL 95 CO 0.02 0.06 -0.16 0.20 0.00 0.00 0.00 175.10 175.23 1wgv s ASN 96 N -0.23 3.55 -0.32 3.32 0.01 -0.94 -3.75 114.94 116.57 1wgv s ASN 96 Ca 0.01 -0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 51.55 1wgv s ASN 96 Cb -0.03 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 40.09 1wgv s ASN 96 CO -0.00 0.06 0.14 -0.76 -1.51 0.00 0.00 177.10 175.03 1wgv s LEU 97 N 0.98 4.18 -0.58 0.60 1.43 -1.23 -2.80 118.68 121.25 1wgv s LEU 97 Ca -0.02 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.16 1wgv s LEU 97 Cb -0.15 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.19 1wgv s LEU 97 CO -0.03 -0.24 0.76 -0.44 0.23 0.00 0.00 176.35 176.63 1wgv s SER 98 N 1.56 6.20 0.35 2.29 0.01 -1.26 -3.28 113.70 119.57 1wgv s SER 98 Ca 0.03 -1.12 -0.28 0.00 1.31 0.00 0.00 55.95 55.89 1wgv s SER 98 Cb -0.18 -2.34 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 1wgv s SER 98 CO 0.05 -1.15 1.27 0.29 0.41 0.00 0.00 173.24 174.11 1wgv n LYS 99 N 6.70 2.06 -1.10 12.44 5.02 -1.26 -1.61 118.16 140.40 1wgv n LYS 99 Ca -0.07 0.72 -0.20 0.00 -2.02 0.00 0.00 58.31 56.74 1wgv n LYS 99 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 0.26 2.98 0.00 -0.18 0.24 -1.26 -4.83 118.33 115.54 1wgv n VAL 100 Ca 0.05 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 1wgv n VAL 100 Cb 0.36 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 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 0.54 3.17 3.56 7.63 0.00 -1.26 -5.02 105.19 113.81 1wgv n GLY 101 Ca 0.37 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.04 2.72 0.14 1.61 2.02 -1.26 -4.93 118.70 116.96 1wgv s GLU 102 Ca 0.00 -0.05 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1wgv s GLU 102 Cb 0.00 -4.79 -0.04 0.00 0.10 0.00 0.00 34.13 29.40 1wgv s GLU 102 CO 0.00 -2.96 -0.14 0.71 0.02 0.00 0.00 175.26 172.89 1wgv s TYR 103 N 8.96 1.46 -0.66 1.61 2.02 -1.26 -5.10 117.35 124.39 1wgv s TYR 103 Ca 0.64 -0.58 -0.10 0.00 -0.37 0.00 0.00 57.07 56.67 1wgv s TYR 103 Cb -0.08 -0.74 0.17 0.00 -0.40 0.00 0.00 41.96 40.90 1wgv s TYR 103 CO 0.07 0.18 0.54 1.67 -1.57 0.00 0.00 175.55 176.45 1wgv s TRP 104 N -2.41 3.53 -0.95 2.71 -2.14 -1.26 -4.95 118.94 113.48 1wgv s TRP 104 Ca 0.12 -2.13 -0.24 0.00 2.66 0.00 0.00 56.10 56.51 1wgv s TRP 104 Cb -0.03 -3.55 -0.06 0.00 -3.10 0.00 0.00 33.47 26.73 1wgv s TRP 104 CO 0.04 -0.95 1.96 -1.58 -2.66 0.00 0.00 176.95 173.75 1wgv s TRP 105 N 0.50 1.81 0.66 1.66 0.52 -1.26 -4.72 118.94 118.11 1wgv s TRP 105 Ca 0.13 0.64 0.35 0.00 0.02 0.00 0.00 56.10 57.24 1wgv s TRP 105 Cb -0.19 -4.02 1.90 0.00 -1.15 0.00 0.00 33.47 30.01 1wgv s TRP 105 CO -0.04 -1.65 2.09 -2.95 0.02 0.00 0.00 176.95 174.41 1wgv h ASN 106 N 11.07 0.00 -2.11 2.95 7.08 -1.94 -3.44 115.58 129.19 1wgv h ASN 106 Ca 0.11 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.34 1wgv h ASN 106 Cb 0.99 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.24 1wgv h ASN 106 CO 1.21 0.00 0.20 0.00 -2.08 0.00 0.00 177.43 176.76 1wgv n ALA 107 N -2.00 -1.16 -0.12 4.14 0.00 -1.26 -3.40 120.51 116.71 1wgv n ALA 107 Ca -0.02 -0.73 -0.26 0.00 0.00 0.00 0.00 53.44 52.43 1wgv n ALA 107 Cb 0.28 0.56 -0.11 0.00 0.00 0.00 0.00 19.45 20.18 1wgv n ALA 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wgv n ILE 108 N -0.34 1.54 -3.79 0.00 2.08 -1.26 -4.74 119.36 112.85 1wgv n ILE 108 Ca -0.05 -0.36 -0.24 0.00 0.56 0.00 0.00 62.75 62.67 1wgv n ILE 108 Cb 0.35 -1.83 -0.02 0.00 -0.75 0.00 0.00 39.64 37.39 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 -7.39 3.03 0.33 1.39 1.43 -1.26 -2.42 118.68 113.79 1wgv s LEU 109 Ca -0.35 -1.03 0.24 0.00 -1.03 0.00 0.00 54.13 51.96 1wgv s LEU 109 Cb 0.11 -1.55 0.44 0.00 0.03 0.00 0.00 46.19 45.23 1wgv s LEU 109 CO 0.55 -0.85 1.59 -0.33 0.23 0.00 0.00 176.35 177.53 1wgv h GLU 110 N 0.95 0.00 -1.73 1.70 5.08 -1.54 -3.30 114.58 115.73 1wgv h GLU 110 Ca -0.39 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.25 1wgv h GLU 110 Cb 1.28 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.23 1wgv h GLU 110 CO 0.59 0.00 0.70 0.41 -1.00 0.00 0.00 179.01 179.71 1wgv n GLY 111 N 1.18 5.68 3.34 -3.84 0.00 -1.26 -4.96 105.19 105.33 1wgv n GLY 111 Ca 0.04 -2.51 -0.18 0.00 0.00 0.00 0.00 46.02 43.38 1wgv n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgv s GLU 112 N -3.94 1.48 0.17 1.61 2.02 -1.24 -5.13 118.70 113.66 1wgv s GLU 112 Ca 0.53 -1.81 -0.17 0.00 0.02 0.00 0.00 54.97 53.55 1wgv s GLU 112 Cb 0.44 -0.32 -0.07 0.00 0.10 0.00 0.00 34.13 34.28 1wgv s GLU 112 CO -0.31 -0.31 0.61 -1.21 0.02 0.00 0.00 175.26 174.07 1wgv s GLU 113 N -3.98 4.09 0.60 1.61 2.02 -1.26 -5.00 118.70 116.77 1wgv s GLU 113 Ca 0.37 0.64 -0.10 0.00 0.02 0.00 0.00 54.97 55.90 1wgv s GLU 113 Cb 0.07 -2.94 0.14 0.00 0.10 0.00 0.00 34.13 31.51 1wgv s GLU 113 CO 0.14 0.46 0.66 -0.35 0.02 0.00 0.00 175.26 176.19 1wgv n PRO 114 N 0.85 -1.42 -3.17 0.39 -0.04 -1.26 -4.56 135.00 125.79 1wgv n PRO 114 Ca -0.05 -1.03 -0.12 0.00 -0.04 0.00 0.00 63.50 62.26 1wgv n PRO 114 Cb 0.51 -0.81 -0.04 0.00 -0.04 0.00 0.00 33.50 33.13 1wgv n PRO 114 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1wgv n ILE 115 N -3.38 0.00 -3.36 0.52 -5.35 -1.22 -4.88 119.36 101.69 1wgv n ILE 115 Ca 0.09 -1.17 0.02 0.00 -0.27 0.00 0.00 62.75 61.41 1wgv n ILE 115 Cb 0.32 0.45 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 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 -2.22 -0.92 0.00 7.28 2.15 -1.26 -5.06 116.67 116.64 1wgv s ASP 116 Ca 0.12 0.94 -0.38 0.00 0.43 0.00 0.00 52.55 53.66 1wgv s ASP 116 Cb 0.01 1.92 -0.17 0.00 -0.30 0.00 0.00 42.92 44.37 1wgv s ASP 116 CO 0.08 -0.18 1.36 -0.38 -0.17 0.00 0.00 175.17 175.89 1wgv n ILE 117 N 5.31 0.05 -0.05 4.11 2.08 -1.26 -4.85 119.36 124.74 1wgv n ILE 117 Ca -0.07 -0.01 -0.10 0.00 0.56 0.00 0.00 62.75 63.13 1wgv n ILE 117 Cb 0.51 -0.74 -0.04 0.00 -0.75 0.00 0.00 39.64 38.62 1wgv n ILE 117 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wgv n ASP 118 N 2.82 1.89 -4.68 4.38 2.03 -1.26 -4.97 116.55 116.76 1wgv n ASP 118 Ca 0.20 0.05 -0.42 0.00 0.52 0.00 0.00 54.79 55.14 1wgv n ASP 118 Cb 0.16 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 1wgv n ASP 118 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wgv s SER 119 N -5.52 6.90 0.00 1.67 1.04 -1.26 -4.89 113.70 111.63 1wgv s SER 119 Ca -0.14 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.29 1wgv s SER 119 Cb 0.05 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1wgv s SER 119 CO 0.21 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1wgv n GLY 120 N 3.60 2.43 3.76 7.32 0.00 -1.26 -5.15 105.19 115.90 1wgv n GLY 120 Ca 0.13 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 3.50 4.57 -0.68 1.61 0.04 -1.26 -4.90 135.00 137.88 1wgv s PRO 121 Ca 0.00 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 1wgv s PRO 121 Cb 0.00 -3.08 -0.11 0.00 0.04 0.00 0.00 34.50 31.35 1wgv s PRO 121 CO 0.00 0.18 2.42 -1.12 0.04 0.00 0.00 177.00 178.51 1wgv s SER 122 N -1.03 4.07 -0.20 6.66 0.01 -1.26 -4.84 113.70 117.11 1wgv s SER 122 Ca 0.47 0.45 -0.04 0.00 1.31 0.00 0.00 55.95 58.14 1wgv s SER 122 Cb -0.30 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.50 1wgv s SER 122 CO 0.38 -3.52 0.23 -0.44 0.41 0.00 0.00 173.24 170.30 1wgv s SER 123 N 11.44 1.24 0.00 2.44 0.01 -1.26 -5.33 113.70 122.24 1wgv s SER 123 Ca 0.95 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1wgv s SER 123 Cb -0.14 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1wgv s SER 123 CO 0.15 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.09