#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgv n SER 2 N 0.00 3.31 -3.29 1.61 3.41 -1.26 -4.94 113.62 112.46 1wgv n SER 2 Ca 0.00 1.03 -0.07 0.00 -0.26 0.00 0.00 58.87 59.56 1wgv n SER 2 Cb 0.00 -1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 62.49 1wgv n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wgv s SER 3 N 2.45 0.12 0.00 4.04 1.04 -1.26 -5.12 113.70 114.97 1wgv s SER 3 Ca 0.85 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1wgv s SER 3 Cb -0.67 1.23 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1wgv s SER 3 CO 0.44 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1wgv n GLY 4 N 5.36 -0.22 3.64 7.32 0.00 -1.26 -4.98 105.19 115.06 1wgv n GLY 4 Ca 0.01 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1wgv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgv s SER 5 N -4.00 6.08 0.25 1.61 0.01 -1.26 -4.96 113.70 111.44 1wgv s SER 5 Ca 0.00 2.41 0.08 0.00 1.31 0.00 0.00 55.95 59.75 1wgv s SER 5 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1wgv s SER 5 CO 0.00 -1.38 -0.12 -0.44 0.41 0.00 0.00 173.24 171.70 1wgv s SER 6 N 5.86 2.91 0.00 2.44 0.01 -1.26 -5.06 113.70 118.60 1wgv s SER 6 Ca 0.93 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1wgv s SER 6 Cb -0.39 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1wgv s SER 6 CO 0.40 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1wgv n GLY 7 N -0.52 0.22 2.72 3.44 0.00 -1.26 -4.95 105.19 104.84 1wgv n GLY 7 Ca -0.06 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 1wgv n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wgv s GLN 8 N -0.66 0.71 -0.08 1.61 0.74 -1.26 -4.97 119.66 115.75 1wgv s GLN 8 Ca 0.00 -1.04 0.05 0.00 0.05 0.00 0.00 55.36 54.43 1wgv s GLN 8 Cb 0.00 -0.77 -0.24 0.00 1.10 0.00 0.00 33.01 33.10 1wgv s GLN 8 CO 0.00 -1.23 0.51 0.36 -0.55 0.00 0.00 175.29 174.38 1wgv n LYS 9 N 3.97 0.68 -3.64 1.67 0.00 -1.26 -5.02 118.16 114.56 1wgv n LYS 9 Ca 0.14 0.27 -0.02 0.00 -0.00 0.00 0.00 58.31 58.70 1wgv n LYS 9 Cb 0.46 -1.74 -0.03 0.00 -0.00 0.00 0.00 35.03 33.71 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 -6.43 -0.02 -0.08 -5.58 2.20 -1.26 -4.57 114.94 99.20 1wgv s ASN 10 Ca -0.12 0.02 -0.27 0.00 -0.94 0.00 0.00 52.86 51.55 1wgv s ASN 10 Cb 0.07 0.02 -0.23 0.00 -2.00 0.00 0.00 41.25 39.12 1wgv s ASN 10 CO 0.80 -0.03 1.00 1.55 -2.94 0.00 0.00 177.10 177.48 1wgv h PRO 11 N 2.03 -0.01 0.00 3.55 0.13 -1.98 -3.47 132.00 132.25 1wgv h PRO 11 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wgv h PRO 11 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wgv h PRO 11 CO 0.21 0.72 0.00 -3.47 -0.23 0.00 0.00 178.00 175.23 1wgv n ASP 12 N -4.74 -0.49 -4.65 1.44 2.03 -1.26 -5.07 116.55 103.81 1wgv n ASP 12 Ca -0.09 0.16 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 1wgv n ASP 12 Cb 0.36 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.41 1wgv n ASP 12 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wgv s SER 13 N -3.56 6.79 -0.78 1.67 0.15 -1.26 -4.89 113.70 111.82 1wgv s SER 13 Ca 0.00 1.67 -0.24 0.00 0.70 0.00 0.00 55.95 58.07 1wgv s SER 13 Cb 0.00 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 61.62 1wgv s SER 13 CO 0.00 -0.90 2.40 -1.22 1.20 0.00 0.00 173.24 174.71 1wgv n TYR 14 N 7.10 1.07 -2.29 3.44 4.02 -1.26 -4.08 117.16 125.15 1wgv n TYR 14 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1wgv n TYR 14 Cb 0.45 -2.42 0.00 0.00 -0.02 0.00 0.00 39.34 37.35 1wgv n TYR 14 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1wgv n ASN 15 N 17.07 -9.56 0.00 7.72 3.02 -1.26 -4.98 115.26 127.27 1wgv n ASN 15 Ca 0.48 1.74 0.00 0.00 -0.03 0.00 0.00 54.58 56.77 1wgv n ASN 15 Cb 0.41 -5.27 0.00 0.00 -0.61 0.00 0.00 39.78 34.31 1wgv n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wgv n GLY 16 N 1.91 -0.89 3.74 7.41 0.00 -1.26 -4.69 105.19 111.42 1wgv n GLY 16 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 3.45 0.00 4.61 0.00 -1.25 -5.00 121.76 122.57 1wgv s ALA 17 Ca 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1wgv s ALA 17 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1wgv s ALA 17 CO 0.00 0.65 -0.11 0.08 0.00 0.00 0.00 175.76 176.38 1wgv s VAL 18 N -1.49 0.85 0.25 0.00 1.01 -1.26 -4.13 120.40 115.63 1wgv s VAL 18 Ca 0.28 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1wgv s VAL 18 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1wgv s VAL 18 CO 0.21 0.17 0.52 -0.13 0.00 0.00 0.00 175.10 175.86 1wgv s ARG 19 N -0.45 1.58 -1.19 2.72 1.81 -1.26 -5.07 118.95 117.09 1wgv s ARG 19 Ca 0.03 -1.19 -0.06 0.00 -1.72 0.00 0.00 55.73 52.79 1wgv s ARG 19 Cb -0.05 0.50 0.23 0.00 -0.45 0.00 0.00 34.95 35.18 1wgv s ARG 19 CO -0.00 -0.67 1.77 -0.85 -0.68 0.00 0.00 175.30 174.87 1wgv n GLU 20 N -0.39 4.20 0.12 3.54 0.00 -1.26 -4.19 120.64 122.66 1wgv n GLU 20 Ca -0.02 -4.01 0.00 0.00 0.00 0.00 0.00 57.16 53.12 1wgv n GLU 20 Cb 0.61 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 29.36 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 2.34 -2.19 -3.59 -1.84 5.15 -1.26 -5.13 115.26 108.73 1wgv n ASN 21 Ca 0.37 0.66 -0.03 0.00 -0.60 0.00 0.00 54.58 54.99 1wgv n ASN 21 Cb 0.33 2.25 -0.06 0.00 -0.53 0.00 0.00 39.78 41.77 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 -2.00 -0.87 0.44 1.20 -0.85 -1.26 -4.65 117.35 109.37 1wgv s TYR 22 Ca 0.00 1.63 -0.08 0.00 -0.52 0.00 0.00 57.07 58.10 1wgv s TYR 22 Cb 0.00 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1wgv s TYR 22 CO 0.00 -0.43 0.78 0.99 -1.52 0.00 0.00 175.55 175.37 1wgv s THR 23 N 1.93 4.84 0.15 -3.49 2.01 -0.97 -4.63 115.64 115.48 1wgv s THR 23 Ca -0.07 0.45 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 1wgv s THR 23 Cb -0.06 -3.79 0.06 0.00 0.01 0.00 0.00 72.50 68.72 1wgv s THR 23 CO -0.18 -0.68 0.75 -1.66 -0.69 0.00 0.00 174.62 172.17 1wgv s TRP 24 N -2.55 -0.35 0.07 4.92 1.48 -1.26 -1.35 118.94 119.90 1wgv s TRP 24 Ca 0.50 0.08 -0.14 0.00 -1.06 0.00 0.00 56.10 55.47 1wgv s TRP 24 Cb -0.10 0.60 0.02 0.00 -1.16 0.00 0.00 33.47 32.83 1wgv s TRP 24 CO 0.38 -0.87 0.33 -1.54 -4.06 0.00 0.00 176.95 171.20 1wgv s SER 25 N -2.76 -0.15 -0.12 -2.66 1.04 -0.76 -3.88 113.70 104.41 1wgv s SER 25 Ca 0.06 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 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 -0.05 -0.70 -0.06 -1.58 0.98 0.00 0.00 173.24 171.82 1wgv s GLN 26 N -3.05 3.34 0.42 4.02 0.74 -1.26 -2.88 119.66 120.99 1wgv s GLN 26 Ca -0.02 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 54.86 1wgv s GLN 26 Cb 0.01 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.35 1wgv s GLN 26 CO -0.07 0.37 0.08 -0.25 -0.55 0.00 0.00 175.29 174.87 1wgv n ASP 27 N 3.12 2.12 0.00 6.67 9.92 -0.89 -5.05 116.55 132.44 1wgv n ASP 27 Ca -0.18 -3.07 0.00 0.00 -0.53 0.00 0.00 54.79 51.02 1wgv n ASP 27 Cb 0.53 0.70 0.00 0.00 -0.64 0.00 0.00 41.12 41.71 1wgv n ASP 27 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wgv n TYR 28 N -1.00 0.00 -3.23 1.24 4.01 -1.26 -3.92 117.16 112.99 1wgv n TYR 28 Ca -0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.38 1wgv n TYR 28 Cb 0.59 -0.20 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 1wgv n TYR 28 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wgv n THR 29 N -1.80 0.09 0.00 -0.72 -2.24 -1.26 -4.95 114.28 103.40 1wgv n THR 29 Ca 0.00 -4.36 0.00 0.00 -2.27 0.00 0.00 64.05 57.42 1wgv n THR 29 Cb 0.00 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 1wgv n THR 29 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wgv n ASP 30 N 1.12 0.00 -4.43 3.42 5.75 -1.25 -4.57 116.55 116.59 1wgv n ASP 30 Ca 0.24 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.76 1wgv n ASP 30 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.10 -2.12 1.02 -1.13 -2.10 118.68 116.73 1wgv s LEU 31 Ca 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 54.13 53.21 1wgv s LEU 31 Cb 0.00 -1.13 0.04 0.00 0.02 0.00 0.00 46.19 45.12 1wgv s LEU 31 CO 0.00 0.09 0.04 -0.70 0.02 0.00 0.00 176.35 175.80 1wgv s GLU 32 N -2.92 0.31 -0.12 1.70 2.12 -1.14 -2.96 118.70 115.68 1wgv s GLU 32 Ca 0.23 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.65 1wgv s GLU 32 Cb -0.07 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.11 1wgv s GLU 32 CO 0.11 -0.44 -0.22 0.54 -0.54 0.00 0.00 175.26 174.71 1wgv s VAL 33 N 2.04 2.20 -0.15 3.70 0.11 -1.17 -1.82 120.40 125.31 1wgv s VAL 33 Ca 0.03 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1wgv s VAL 33 Cb -0.14 -1.87 -0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1wgv s VAL 33 CO -0.06 0.55 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.98 1wgv s ARG 34 N 0.54 3.24 -0.14 1.54 0.52 -0.46 -2.68 118.95 121.51 1wgv s ARG 34 Ca -0.13 -0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1wgv s ARG 34 Cb -0.17 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 1wgv s ARG 34 CO 0.04 0.05 -0.08 0.08 0.02 0.00 0.00 175.30 175.41 1wgv s VAL 35 N 0.74 3.47 0.29 3.52 1.01 -0.54 -2.28 120.40 126.61 1wgv s VAL 35 Ca -0.06 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1wgv s VAL 35 Cb -0.15 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1wgv s VAL 35 CO 0.01 0.51 1.08 -2.16 0.00 0.00 0.00 175.10 174.54 1wgv s PRO 36 N 0.35 4.61 0.20 2.72 0.04 -1.26 0.19 135.00 141.86 1wgv s PRO 36 Ca -0.08 1.74 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1wgv s PRO 36 Cb -0.15 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1wgv s PRO 36 CO 0.04 0.20 -0.16 0.14 0.04 0.00 0.00 177.00 177.27 1wgv s VAL 37 N -1.22 1.81 1.07 -0.36 -7.23 -1.03 -4.85 120.40 108.59 1wgv s VAL 37 Ca 0.46 -2.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 1wgv s VAL 37 Cb -0.30 -2.01 0.23 0.00 0.56 0.00 0.00 36.38 34.86 1wgv s VAL 37 CO 0.39 -0.51 1.21 -2.16 -0.31 0.00 0.00 175.10 173.72 1wgv s PRO 38 N -3.41 -0.15 -0.01 4.82 0.04 -1.26 -4.43 135.00 130.59 1wgv s PRO 38 Ca 0.21 -0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.12 1wgv s PRO 38 Cb -0.02 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.98 1wgv s PRO 38 CO 0.07 -2.98 1.10 1.63 0.04 0.00 0.00 177.00 176.86 1wgv n LYS 39 N -4.21 1.63 0.00 4.56 4.01 -1.26 -2.89 118.16 120.00 1wgv n LYS 39 Ca 0.14 -0.81 0.03 0.00 -0.51 0.00 0.00 58.31 57.16 1wgv n LYS 39 Cb 0.59 -1.28 0.01 0.00 -0.51 0.00 0.00 35.03 33.84 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 0.25 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.25 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 -0.81 4.63 0.00 0.61 1.01 -1.14 -4.82 120.40 119.88 1wgv s VAL 41 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1wgv s VAL 41 Cb 0.05 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1wgv s VAL 41 CO 0.12 -0.20 0.00 1.33 0.00 0.00 0.00 175.10 176.35 1wgv n VAL 42 N 5.01 0.00 -2.89 2.92 0.24 -1.26 -1.79 118.33 120.55 1wgv n VAL 42 Ca -0.12 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.84 1wgv n VAL 42 Cb 0.46 -0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 32.40 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 -1.59 4.26 0.21 7.34 -0.14 -1.26 -4.31 119.74 124.26 1wgv s LYS 43 Ca 0.00 1.06 0.25 0.00 -1.36 0.00 0.00 55.97 55.92 1wgv s LYS 43 Cb 0.00 -2.40 0.87 0.00 -1.68 0.00 0.00 37.83 34.62 1wgv s LYS 43 CO 0.00 0.10 1.76 0.41 -0.76 0.00 0.00 175.35 176.86 1wgv n GLY 44 N -0.26 -1.58 0.09 -3.33 0.00 -1.26 -2.50 105.19 96.35 1wgv n GLY 44 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.22 0.18 0.08 1.61 2.85 -1.26 -2.40 118.16 116.99 1wgv n LYS 45 Ca 0.05 0.23 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 1wgv n LYS 45 Cb 0.37 -1.75 0.36 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.07 0.23 -4.32 -1.58 6.02 -1.04 -4.81 117.38 109.80 1wgv n GLN 46 Ca 0.05 0.15 -0.25 0.00 -0.01 0.00 0.00 57.00 56.94 1wgv n GLN 46 Cb 0.35 -1.73 -0.12 0.00 1.02 0.00 0.00 30.24 29.76 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 -3.10 1.88 -0.13 5.09 -7.23 -1.01 0.20 120.40 116.09 1wgv s VAL 47 Ca 0.10 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1wgv s VAL 47 Cb 0.14 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1wgv s VAL 47 CO 0.63 -0.07 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.79 1wgv s SER 48 N -2.08 4.12 -0.23 4.85 0.01 -0.07 -4.91 113.70 115.38 1wgv s SER 48 Ca 0.10 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 1wgv s SER 48 Cb -0.09 -1.57 0.07 0.00 0.21 0.00 0.00 66.02 64.63 1wgv s SER 48 CO 0.05 0.18 0.03 -0.69 0.41 0.00 0.00 173.24 173.22 1wgv s VAL 49 N 0.25 0.88 -0.22 3.43 1.01 -1.25 -2.34 120.40 122.15 1wgv s VAL 49 Ca -0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1wgv s VAL 49 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1wgv s VAL 49 CO 0.05 -0.30 0.07 0.00 0.00 0.00 0.00 175.10 174.92 1wgv s ALA 50 N 1.67 3.28 -0.11 5.51 0.00 -1.17 -4.95 121.76 125.98 1wgv s ALA 50 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1wgv s ALA 50 Cb -0.18 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1wgv s ALA 50 CO -0.12 -0.21 -0.17 -0.51 0.00 0.00 0.00 175.76 174.75 1wgv s LEU 51 N 1.11 1.83 0.09 0.00 1.43 -1.26 -2.83 118.68 119.05 1wgv s LEU 51 Ca 0.04 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1wgv s LEU 51 Cb -0.14 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1wgv s LEU 51 CO 0.03 0.04 0.00 -1.20 0.23 0.00 0.00 176.35 175.45 1wgv n SER 52 N 4.12 0.33 0.00 2.29 7.64 -1.25 -5.02 113.62 121.74 1wgv n SER 52 Ca -0.19 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1wgv n SER 52 Cb 0.51 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -3.02 0.00 -1.03 6.43 3.41 -1.26 -4.59 113.62 113.55 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 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 2.69 -3.65 4.04 2.88 -1.25 -1.32 113.62 117.00 1wgv n SER 54 Ca 0.00 -3.86 -0.15 0.00 -1.33 0.00 0.00 58.87 53.53 1wgv n SER 54 Cb 0.00 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.34 -0.47 0.02 -3.46 1.04 -1.26 0.47 113.70 106.71 1wgv s SER 55 Ca 0.42 0.61 -0.01 0.00 0.48 0.00 0.00 55.95 57.44 1wgv s SER 55 Cb 0.38 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 67.11 1wgv s SER 55 CO -0.04 -0.43 -0.01 -0.51 0.98 0.00 0.00 173.24 173.24 1wgv s ILE 56 N -0.80 0.12 -0.02 -1.02 -1.16 -1.04 -3.74 121.20 113.54 1wgv s ILE 56 Ca -0.09 -0.99 0.00 0.00 -0.51 0.00 0.00 60.65 59.07 1wgv s ILE 56 Cb -0.03 -0.44 0.03 0.00 0.61 0.00 0.00 42.46 42.63 1wgv s ILE 56 CO 0.05 -0.54 0.03 -0.60 -2.81 0.00 0.00 174.94 171.07 1wgv s ARG 57 N -1.76 -0.02 -0.22 3.50 3.52 -1.13 -2.45 118.95 120.39 1wgv s ARG 57 Ca -0.13 0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1wgv s ARG 57 Cb -0.07 -0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.16 1wgv s ARG 57 CO -0.02 -0.15 0.10 0.08 -0.81 0.00 0.00 175.30 174.51 1wgv s VAL 58 N 0.95 -0.02 0.14 7.11 1.01 0.50 -3.05 120.40 127.04 1wgv s VAL 58 Ca -0.08 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1wgv s VAL 58 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1wgv s VAL 58 CO -0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 175.10 174.52 1wgv s ALA 59 N 2.09 1.41 -0.00 5.51 0.00 -0.99 -0.03 121.76 129.76 1wgv s ALA 59 Ca 0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1wgv s ALA 59 Cb -0.16 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 1wgv s ALA 59 CO -0.20 -0.10 0.02 0.00 0.00 0.00 0.00 175.76 175.48 1wgv s MET 60 N -3.72 0.13 0.04 0.00 0.23 0.55 -0.90 119.30 115.63 1wgv s MET 60 Ca 0.16 -0.16 -0.30 0.00 -1.03 0.00 0.00 55.69 54.36 1wgv s MET 60 Cb 0.03 0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.33 1wgv s MET 60 CO 0.00 -0.02 1.06 -0.51 -2.03 0.00 0.00 175.02 173.52 1wgv s LEU 61 N -0.45 4.39 -0.04 0.18 1.43 0.52 -0.52 118.68 124.19 1wgv s LEU 61 Ca -0.05 1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1wgv s LEU 61 Cb -0.03 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1wgv s LEU 61 CO -0.00 -0.31 -0.06 -0.62 0.23 0.00 0.00 176.35 175.59 1wgv n GLU 62 N 3.71 0.12 0.08 1.70 -0.58 -0.73 -4.91 120.64 120.04 1wgv n GLU 62 Ca 0.06 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1wgv n GLU 62 Cb 0.49 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1wgv n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wgv n GLU 63 N -2.90 0.00 0.00 3.49 2.13 -1.26 -4.92 120.64 117.18 1wgv n GLU 63 Ca -0.02 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.91 1wgv n GLU 63 Cb 0.09 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.95 1wgv n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wgv n ASN 64 N -2.76 1.23 0.00 4.31 5.15 -1.26 -4.98 115.26 116.94 1wgv n ASN 64 Ca 0.00 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 1wgv n ASN 64 Cb 0.00 0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wgv n GLY 65 N 1.42 3.16 3.80 8.20 0.00 -1.26 -5.20 105.19 115.32 1wgv n GLY 65 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 4.46 2.22 -0.05 1.61 1.03 -1.26 -1.77 118.70 124.95 1wgv s GLU 66 Ca 0.00 -1.44 -0.07 0.00 0.03 0.00 0.00 54.97 53.50 1wgv s GLU 66 Cb 0.00 0.62 0.01 0.00 -0.80 0.00 0.00 34.13 33.97 1wgv s GLU 66 CO 0.00 -1.04 0.17 0.50 -1.33 0.00 0.00 175.26 173.56 1wgv s ARG 67 N -2.36 0.29 -0.71 -4.83 3.52 0.32 -4.82 118.95 110.36 1wgv s ARG 67 Ca 0.16 0.06 -0.20 0.00 -0.13 0.00 0.00 55.73 55.61 1wgv s ARG 67 Cb -0.05 0.13 0.10 0.00 -1.56 0.00 0.00 34.95 33.57 1wgv s ARG 67 CO 0.12 -0.05 0.92 0.08 -0.81 0.00 0.00 175.30 175.55 1wgv s VAL 68 N -0.34 4.62 0.06 7.11 1.01 -1.26 -0.33 120.40 131.26 1wgv s VAL 68 Ca -0.04 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 1wgv s VAL 68 Cb -0.03 -4.64 -0.18 0.00 0.00 0.00 0.00 36.38 31.53 1wgv s VAL 68 CO 0.01 -1.35 1.55 -0.07 0.00 0.00 0.00 175.10 175.23 1wgv h LEU 69 N 10.56 -0.66 -7.55 3.92 3.38 -0.79 -3.44 115.31 120.73 1wgv h LEU 69 Ca -0.16 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.51 1wgv h LEU 69 Cb 1.06 0.17 -0.33 0.00 0.09 0.00 0.00 40.66 41.65 1wgv h LEU 69 CO 1.12 -0.42 -0.73 -0.32 0.09 0.00 0.00 178.44 178.18 1wgv s MET 70 N -5.78 -0.01 -0.02 1.13 0.00 -0.39 -4.72 119.30 109.51 1wgv s MET 70 Ca -0.17 0.16 -0.29 0.00 0.00 0.00 0.00 55.69 55.40 1wgv s MET 70 Cb 0.03 -0.24 0.09 0.00 0.00 0.00 0.00 34.83 34.71 1wgv s MET 70 CO 0.60 -0.15 0.76 -2.00 0.00 0.00 0.00 175.02 174.24 1wgv s GLU 71 N 0.94 0.97 0.00 4.11 -6.30 -1.26 0.19 118.70 117.35 1wgv s GLU 71 Ca -0.08 -0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.36 1wgv s GLU 71 Cb -0.11 0.45 0.00 0.00 0.00 0.00 0.00 34.13 34.47 1wgv s GLU 71 CO -0.03 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1wgv n GLY 72 N 0.38 4.02 3.72 -1.50 0.00 -1.03 -5.03 105.19 105.75 1wgv n GLY 72 Ca -0.15 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.76 4.30 0.94 1.61 1.02 -1.26 -2.50 119.74 121.09 1wgv s LYS 73 Ca 0.00 2.14 -0.11 0.00 0.02 0.00 0.00 55.97 58.01 1wgv s LYS 73 Cb 0.00 -3.22 0.16 0.00 -0.52 0.00 0.00 37.83 34.24 1wgv s LYS 73 CO 0.00 -0.47 1.09 -0.51 -0.92 0.00 0.00 175.35 174.54 1wgv s LEU 74 N 1.07 2.13 0.06 3.17 1.43 0.18 0.61 118.68 127.33 1wgv s LEU 74 Ca 0.66 1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 55.18 1wgv s LEU 74 Cb -0.38 -3.95 -0.11 0.00 0.03 0.00 0.00 46.19 41.77 1wgv s LEU 74 CO 0.31 -2.97 1.45 0.71 0.23 0.00 0.00 176.35 176.07 1wgv h THR 75 N -1.78 1.29 -2.39 5.49 1.35 -1.07 -3.35 112.91 112.45 1wgv h THR 75 Ca -0.50 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1wgv h THR 75 Cb 1.29 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1wgv h THR 75 CO 0.52 0.32 0.00 1.41 -0.25 0.00 0.00 175.52 177.51 1wgv n HIS 76 N -4.62 0.00 -2.76 4.73 8.25 -1.26 -4.91 115.22 114.66 1wgv n HIS 76 Ca -0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 1wgv n HIS 76 Cb 0.28 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.65 2.97 0.10 -0.41 1.02 -1.26 -3.94 119.74 116.57 1wgv s LYS 77 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1wgv s LYS 77 Cb 0.00 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1wgv s LYS 77 CO 0.00 -0.45 0.10 0.44 -0.92 0.00 0.00 175.35 174.52 1wgv n ILE 78 N -2.27 0.00 -3.54 2.17 -6.64 -0.44 -4.31 119.36 104.33 1wgv n ILE 78 Ca 0.03 -0.66 -0.33 0.00 -1.77 0.00 0.00 62.75 60.02 1wgv n ILE 78 Cb 0.58 0.35 -0.07 0.00 -1.44 0.00 0.00 39.64 39.05 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 -2.47 4.16 -0.30 7.28 2.85 0.02 -4.79 115.26 122.01 1wgv n ASN 79 Ca 0.02 -3.28 0.29 0.00 -0.11 0.00 0.00 54.58 51.50 1wgv n ASN 79 Cb 0.17 -0.92 0.54 0.00 1.24 0.00 0.00 39.78 40.81 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 1.68 -0.40 0.11 -0.44 -2.24 -1.26 0.12 114.28 111.85 1wgv n THR 80 Ca 0.24 1.93 -0.13 0.00 -2.27 0.00 0.00 64.05 63.83 1wgv n THR 80 Cb 0.37 -3.11 -0.06 0.00 -2.10 0.00 0.00 70.33 65.44 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 -0.43 0.00 -0.78 5.08 -1.94 -1.89 114.58 114.62 1wgv h GLU 81 Ca 0.79 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 59.07 1wgv h GLU 81 Cb 2.05 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 1wgv h GLU 81 CO -0.74 -0.29 -0.49 0.77 -1.00 0.00 0.00 179.01 177.27 1wgv h SER 82 N -0.44 0.00 -4.23 1.42 0.02 0.47 -3.44 113.55 107.35 1wgv h SER 82 Ca 0.03 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.47 1wgv h SER 82 Cb 0.47 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.11 1wgv h SER 82 CO -0.14 0.49 0.36 -0.44 -1.14 0.00 0.00 176.83 175.96 1wgv s SER 83 N -6.63 5.14 0.36 3.07 0.01 0.28 -4.78 113.70 111.14 1wgv s SER 83 Ca -0.01 1.90 -0.01 0.00 1.31 0.00 0.00 55.95 59.14 1wgv s SER 83 Cb 0.12 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wgv s SER 83 CO 0.72 -1.61 0.49 -1.48 0.41 0.00 0.00 173.24 171.77 1wgv s LEU 84 N -5.05 1.08 -0.28 2.44 0.05 -0.66 -4.86 118.68 111.40 1wgv s LEU 84 Ca 0.64 -1.54 -0.18 0.00 0.05 0.00 0.00 54.13 53.10 1wgv s LEU 84 Cb -0.18 1.48 0.11 0.00 -2.05 0.00 0.00 46.19 45.54 1wgv s LEU 84 CO 0.44 -1.33 0.85 -1.66 -0.55 0.00 0.00 176.35 174.10 1wgv s TRP 85 N -2.93 -0.78 -0.04 3.48 1.48 -1.26 -0.50 118.94 118.39 1wgv s TRP 85 Ca 0.31 1.61 0.04 0.00 -1.06 0.00 0.00 56.10 57.00 1wgv s TRP 85 Cb -0.01 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.76 1wgv s TRP 85 CO 0.22 -0.38 -0.15 -1.12 -4.06 0.00 0.00 176.95 171.46 1wgv s SER 86 N 1.21 1.90 -0.10 -2.66 0.01 0.18 -4.98 113.70 109.26 1wgv s SER 86 Ca -0.07 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1wgv s SER 86 Cb -0.04 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 1wgv s SER 86 CO -0.14 0.11 0.21 -0.22 0.41 0.00 0.00 173.24 173.61 1wgv s LEU 87 N 0.19 4.39 -0.09 2.44 1.98 -1.26 -0.07 118.68 126.25 1wgv s LEU 87 Ca -0.06 0.56 0.04 0.00 -2.89 0.00 0.00 54.13 51.78 1wgv s LEU 87 Cb -0.12 -2.20 -0.01 0.00 0.66 0.00 0.00 46.19 44.52 1wgv s LEU 87 CO 0.02 0.36 -0.22 -1.61 -1.89 0.00 0.00 176.35 173.01 1wgv s GLU 88 N -0.86 2.90 -0.06 1.98 2.02 -0.98 -4.99 118.70 118.71 1wgv s GLU 88 Ca 0.16 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 1wgv s GLU 88 Cb -0.13 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1wgv s GLU 88 CO 0.06 0.29 1.23 -1.25 0.02 0.00 0.00 175.26 175.60 1wgv s PRO 89 N 0.09 4.33 -1.33 0.39 0.04 -1.26 -3.36 135.00 133.92 1wgv s PRO 89 Ca -0.10 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 1wgv s PRO 89 Cb -0.16 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.82 1wgv s PRO 89 CO 0.06 -0.49 0.92 0.41 0.04 0.00 0.00 177.00 177.94 1wgv n GLY 90 N 3.42 -0.39 0.00 0.56 0.00 -0.74 -4.86 105.19 103.18 1wgv n GLY 90 Ca 0.11 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 -3.82 1.61 4.76 -1.21 -4.97 118.16 110.09 1wgv n LYS 91 Ca -0.18 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.20 1wgv n LYS 91 Cb 0.63 0.00 -0.00 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 -3.06 5.43 -0.13 0.00 1.01 0.52 -2.33 120.40 121.84 1wgv s VAL 93 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1wgv s VAL 93 Cb -0.04 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1wgv s VAL 93 CO 0.06 0.59 -0.14 -0.22 0.00 0.00 0.00 175.10 175.39 1wgv s LEU 94 N -1.11 2.67 -0.07 3.92 1.98 0.90 -1.47 118.68 125.49 1wgv s LEU 94 Ca 0.16 -0.34 -0.01 0.00 -2.89 0.00 0.00 54.13 51.05 1wgv s LEU 94 Cb -0.12 -1.59 0.03 0.00 0.66 0.00 0.00 46.19 45.16 1wgv s LEU 94 CO 0.05 0.17 -0.01 -0.69 -1.89 0.00 0.00 176.35 173.98 1wgv s VAL 95 N 0.33 0.48 -0.22 1.68 1.01 -1.09 0.47 120.40 123.06 1wgv s VAL 95 Ca -0.11 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1wgv s VAL 95 Cb -0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1wgv s VAL 95 CO 0.06 0.27 0.08 0.20 0.00 0.00 0.00 175.10 175.71 1wgv s ASN 96 N 1.85 5.50 -0.18 3.32 0.01 0.34 -3.06 114.94 122.73 1wgv s ASN 96 Ca 0.04 -0.04 -0.05 0.00 -0.71 0.00 0.00 52.86 52.10 1wgv s ASN 96 Cb -0.12 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 1wgv s ASN 96 CO -0.05 0.07 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.84 1wgv s LEU 97 N 1.01 3.32 -0.34 0.60 1.43 -1.16 -1.65 118.68 121.90 1wgv s LEU 97 Ca 0.05 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1wgv s LEU 97 Cb -0.14 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1wgv s LEU 97 CO 0.03 0.12 0.22 -0.55 0.23 0.00 0.00 176.35 176.40 1wgv s SER 98 N 0.67 5.86 0.52 2.29 0.15 -1.26 -2.85 113.70 119.09 1wgv s SER 98 Ca -0.01 -0.59 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 1wgv s SER 98 Cb -0.14 -2.08 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1wgv s SER 98 CO 0.02 -0.27 1.31 -0.54 1.20 0.00 0.00 173.24 174.96 1wgv s LYS 99 N 1.66 3.31 -0.62 5.44 1.02 -1.26 -0.80 119.74 128.49 1wgv s LYS 99 Ca 0.05 2.13 -0.02 0.00 0.02 0.00 0.00 55.97 58.15 1wgv s LYS 99 Cb -0.18 -2.31 0.38 0.00 -0.52 0.00 0.00 37.83 35.21 1wgv s LYS 99 CO 0.09 -1.02 2.06 1.33 -0.92 0.00 0.00 175.35 176.89 1wgv n VAL 100 N -0.87 3.46 0.00 3.17 0.24 -1.26 -4.72 118.33 118.35 1wgv n VAL 100 Ca 0.09 -2.84 0.00 0.00 -2.04 0.00 0.00 64.34 59.55 1wgv n VAL 100 Cb 0.46 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 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 -0.57 0.96 3.36 7.63 0.00 -1.26 -5.00 105.19 110.31 1wgv n GLY 101 Ca 0.55 -1.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.90 3.33 0.14 1.61 2.02 -1.26 -5.02 118.70 117.62 1wgv s GLU 102 Ca 0.00 -1.85 0.06 0.00 0.02 0.00 0.00 54.97 53.21 1wgv s GLU 102 Cb 0.00 -4.45 -0.04 0.00 0.10 0.00 0.00 34.13 29.74 1wgv s GLU 102 CO 0.00 -1.47 -0.15 0.71 0.02 0.00 0.00 175.26 174.37 1wgv s TYR 103 N 1.67 1.50 -0.47 1.61 1.51 -1.26 -5.11 117.35 116.81 1wgv s TYR 103 Ca 0.16 -0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1wgv s TYR 103 Cb -0.17 -0.77 0.09 0.00 -0.11 0.00 0.00 41.96 41.01 1wgv s TYR 103 CO -0.02 0.20 0.37 -0.46 -1.11 0.00 0.00 175.55 174.52 1wgv s TRP 104 N -2.31 3.31 -0.90 2.71 -0.11 -1.26 -5.01 118.94 115.37 1wgv s TRP 104 Ca 0.12 -1.36 -0.22 0.00 1.22 0.00 0.00 56.10 55.86 1wgv s TRP 104 Cb -0.04 -3.29 0.07 0.00 -1.50 0.00 0.00 33.47 28.71 1wgv s TRP 104 CO 0.04 -0.89 1.27 -1.58 -4.62 0.00 0.00 176.95 171.17 1wgv s TRP 105 N 1.52 2.66 -0.73 5.86 0.52 -1.26 -4.78 118.94 122.73 1wgv s TRP 105 Ca 0.04 -0.82 0.22 0.00 0.02 0.00 0.00 56.10 55.56 1wgv s TRP 105 Cb -0.25 -4.52 0.88 0.00 -1.15 0.00 0.00 33.47 28.42 1wgv s TRP 105 CO 0.03 -1.80 1.68 0.27 0.02 0.00 0.00 176.95 177.14 1wgv n ASN 106 N 8.19 0.43 -3.38 2.95 0.23 -1.26 -4.85 115.26 117.57 1wgv n ASN 106 Ca 0.21 0.59 -0.05 0.00 -0.53 0.00 0.00 54.58 54.79 1wgv n ASN 106 Cb 0.49 -0.68 0.01 0.00 -2.08 0.00 0.00 39.78 37.52 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wgv s ALA 107 N -3.16 -1.30 -0.18 -2.53 0.00 -1.26 -1.57 121.76 111.76 1wgv s ALA 107 Ca 0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1wgv s ALA 107 Cb 0.11 0.72 -0.10 0.00 0.00 0.00 0.00 23.12 23.85 1wgv s ALA 107 CO 0.40 -1.03 -0.09 -0.89 0.00 0.00 0.00 175.76 174.16 1wgv n ILE 108 N -0.56 1.48 -3.84 0.00 2.08 -1.26 -4.61 119.36 112.65 1wgv n ILE 108 Ca -0.05 0.06 -0.21 0.00 0.56 0.00 0.00 62.75 63.11 1wgv n ILE 108 Cb 0.60 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.25 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 -7.99 4.24 -1.36 1.39 1.43 -1.26 -0.60 118.68 114.53 1wgv s LEU 109 Ca -0.24 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1wgv s LEU 109 Cb 0.05 -2.91 -0.11 0.00 0.03 0.00 0.00 46.19 43.25 1wgv s LEU 109 CO 0.40 -0.14 3.04 -0.62 0.23 0.00 0.00 176.35 179.26 1wgv n GLU 110 N -1.49 3.48 0.00 1.70 1.02 0.20 -3.28 120.64 122.28 1wgv n GLU 110 Ca -0.08 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.98 1wgv n GLU 110 Cb 0.57 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 1wgv n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wgv n GLY 111 N 3.30 0.00 3.09 0.62 0.00 -1.26 -5.00 105.19 105.93 1wgv n GLY 111 Ca 0.72 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 1wgv n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgv s GLU 112 N 0.00 1.30 0.18 1.61 2.56 -1.20 -5.10 118.70 118.05 1wgv s GLU 112 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 54.97 54.19 1wgv s GLU 112 Cb 0.00 -1.20 -0.17 0.00 2.00 0.00 0.00 34.13 34.76 1wgv s GLU 112 CO 0.00 0.23 0.68 0.39 -0.56 0.00 0.00 175.26 176.00 1wgv n GLU 113 N 3.04 0.21 -2.45 4.30 1.02 -1.26 -4.77 120.64 120.72 1wgv n GLU 113 Ca -0.17 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 1wgv n GLU 113 Cb 0.54 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wgv s PRO 114 N -0.90 4.40 1.02 3.49 0.04 -1.26 -4.74 135.00 137.06 1wgv s PRO 114 Ca 0.67 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 1wgv s PRO 114 Cb -0.95 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 1wgv s PRO 114 CO 0.56 -0.33 -0.35 0.44 0.04 0.00 0.00 177.00 177.36 1wgv n ILE 115 N 4.23 0.00 -0.06 0.56 -5.35 -0.61 -4.93 119.36 113.22 1wgv n ILE 115 Ca 0.10 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1wgv n ILE 115 Cb 0.47 -0.36 -0.10 0.00 -1.74 0.00 0.00 39.64 37.90 1wgv n ILE 115 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1wgv h ASP 116 N -1.48 -0.01 -1.17 7.28 1.82 -1.94 -3.46 116.42 117.46 1wgv h ASP 116 Ca -0.46 -0.77 -0.72 0.00 -0.39 0.00 0.00 57.03 54.69 1wgv h ASP 116 Cb 1.33 0.00 0.08 0.00 0.68 0.00 0.00 39.33 41.42 1wgv h ASP 116 CO 0.30 0.85 -0.10 -0.38 -1.61 0.00 0.00 179.24 178.30 1wgv n ILE 117 N -4.67 0.85 -3.96 2.25 2.08 -1.26 -4.95 119.36 109.69 1wgv n ILE 117 Ca -0.08 -0.21 -0.09 0.00 0.56 0.00 0.00 62.75 62.92 1wgv n ILE 117 Cb 0.38 -0.15 -0.06 0.00 -0.75 0.00 0.00 39.64 39.06 1wgv n ILE 117 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wgv s ASP 118 N -0.34 -0.07 0.40 4.38 2.15 -1.26 -5.09 116.67 116.83 1wgv s ASP 118 Ca 0.79 -0.88 0.04 0.00 0.43 0.00 0.00 52.55 52.92 1wgv s ASP 118 Cb -1.08 0.54 -0.04 0.00 -0.30 0.00 0.00 42.92 42.05 1wgv s ASP 118 CO 0.56 -1.06 0.07 -0.55 -0.17 0.00 0.00 175.17 174.02 1wgv s SER 119 N -2.99 2.98 0.00 -0.34 0.15 -1.26 -5.15 113.70 107.08 1wgv s SER 119 Ca 0.20 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1wgv s SER 119 Cb 0.01 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wgv s SER 119 CO 0.06 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1wgv n GLY 120 N -0.91 -2.93 3.75 9.45 0.00 -1.26 -4.86 105.19 108.43 1wgv n GLY 120 Ca -0.07 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 4.61 0.13 1.61 0.04 -1.26 -4.90 135.00 135.23 1wgv s PRO 121 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1wgv s PRO 121 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1wgv s PRO 121 CO 0.00 0.12 0.00 0.43 0.04 0.00 0.00 177.00 177.59 1wgv n SER 122 N 1.95 0.06 -0.22 6.66 7.64 -1.26 -4.89 113.62 123.55 1wgv n SER 122 Ca 0.01 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 1wgv n SER 122 Cb 0.46 0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 1wgv n SER 122 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wgv h SER 123 N 0.00 -1.77 0.00 6.43 0.87 -2.01 -3.55 113.55 113.52 1wgv h SER 123 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wgv h SER 123 Cb 0.11 0.77 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1wgv h SER 123 CO 0.00 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 176.57