#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 -7.53 0.17 1.61 7.64 -1.26 -5.04 113.62 109.21 1wgv n SER 2 Ca 0.00 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.50 1wgv n SER 2 Cb 0.00 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.38 1wgv n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgv n SER 3 N 1.64 -2.17 0.00 6.43 7.64 -1.26 -5.14 113.62 120.75 1wgv n SER 3 Ca -0.06 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1wgv n SER 3 Cb 0.10 2.14 0.00 0.00 -1.01 0.00 0.00 64.21 65.44 1wgv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgv n GLY 4 N -0.15 2.98 3.64 0.23 0.00 -1.26 -5.17 105.19 105.47 1wgv n GLY 4 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.03 -0.19 0.57 1.61 0.01 -1.26 -5.17 113.70 109.24 1wgv s SER 5 Ca 0.00 0.31 -0.09 0.00 1.31 0.00 0.00 55.95 57.48 1wgv s SER 5 Cb 0.00 1.08 -0.04 0.00 0.21 0.00 0.00 66.02 67.27 1wgv s SER 5 CO 0.00 -0.05 0.94 -0.44 0.41 0.00 0.00 173.24 174.10 1wgv s SER 6 N 1.14 6.22 -0.35 2.44 0.01 -1.26 -5.06 113.70 116.84 1wgv s SER 6 Ca -0.08 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1wgv s SER 6 Cb -0.03 -2.38 0.14 0.00 0.21 0.00 0.00 66.02 63.97 1wgv s SER 6 CO -0.11 -0.78 0.22 -0.83 0.41 0.00 0.00 173.24 172.15 1wgv s GLY 7 N -4.16 0.81 -0.42 3.44 0.00 -1.26 -5.04 107.32 100.70 1wgv s GLY 7 Ca 0.52 -1.83 0.07 0.00 0.00 0.00 0.00 44.72 43.49 1wgv s GLY 7 CO 0.51 2.12 0.59 1.62 0.00 0.00 0.00 173.10 177.94 1wgv s GLN 8 N 1.08 0.84 0.45 2.90 2.00 -1.26 -5.13 119.66 120.54 1wgv s GLN 8 Ca 0.18 -0.58 0.00 0.00 -2.00 0.00 0.00 55.36 52.96 1wgv s GLN 8 Cb -0.23 -0.13 0.00 0.00 0.80 0.00 0.00 33.01 33.45 1wgv s GLN 8 CO 0.01 -1.22 0.00 1.63 -0.50 0.00 0.00 175.29 175.20 1wgv n LYS 9 N 4.06 -2.54 -2.88 1.67 5.02 -1.26 -4.82 118.16 117.40 1wgv n LYS 9 Ca 0.13 2.02 -0.40 0.00 -2.02 0.00 0.00 58.31 58.04 1wgv n LYS 9 Cb 0.54 -2.99 -0.06 0.00 -0.02 0.00 0.00 35.03 32.50 1wgv n LYS 9 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1wgv s ASN 10 N -6.62 7.49 1.03 4.39 -0.87 -1.26 -5.06 114.94 114.04 1wgv s ASN 10 Ca 0.00 1.76 -0.16 0.00 -1.57 0.00 0.00 52.86 52.89 1wgv s ASN 10 Cb 0.00 -2.54 0.21 0.00 -0.02 0.00 0.00 41.25 38.90 1wgv s ASN 10 CO 0.00 0.17 1.19 -2.16 -2.57 0.00 0.00 177.10 173.74 1wgv s PRO 11 N -1.07 0.14 0.17 -0.60 0.04 -1.26 -5.01 135.00 127.40 1wgv s PRO 11 Ca 0.38 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1wgv s PRO 11 Cb -0.24 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1wgv s PRO 11 CO 0.28 -2.80 0.00 -0.25 0.04 0.00 0.00 177.00 174.27 1wgv n ASP 12 N -4.11 -1.05 -0.04 6.66 9.92 -1.26 -5.01 116.55 121.65 1wgv n ASP 12 Ca 0.12 0.31 -0.03 0.00 -0.53 0.00 0.00 54.79 54.65 1wgv n ASP 12 Cb 0.59 1.18 -0.01 0.00 -0.64 0.00 0.00 41.12 42.25 1wgv n ASP 12 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wgv n SER 13 N -2.90 1.05 -3.04 -2.24 3.41 -1.26 -4.97 113.62 103.66 1wgv n SER 13 Ca 0.00 0.37 -0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1wgv n SER 13 Cb 0.00 -0.68 -0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -3.60 -1.22 -1.47 7.33 4.19 -1.26 -4.71 117.16 116.41 1wgv n TYR 14 Ca -0.05 0.55 0.18 0.00 3.31 0.00 0.00 57.90 61.89 1wgv n TYR 14 Cb 0.20 -1.91 -0.08 0.00 0.49 0.00 0.00 39.34 38.04 1wgv n TYR 14 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1wgv n ASN 15 N 1.18 -8.50 0.00 2.98 4.13 -1.26 -4.99 115.26 108.80 1wgv n ASN 15 Ca -0.01 1.22 0.00 0.00 1.68 0.00 0.00 54.58 57.48 1wgv n ASN 15 Cb 0.34 -4.89 0.00 0.00 -1.54 0.00 0.00 39.78 33.69 1wgv n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wgv n GLY 16 N -4.36 -1.39 3.69 7.41 0.00 -1.26 -4.75 105.19 104.52 1wgv n GLY 16 Ca -0.06 -1.15 -0.52 0.00 0.00 0.00 0.00 46.02 44.29 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 0.72 0.43 -2.75 4.61 0.00 -1.26 -4.84 120.51 117.42 1wgv n ALA 17 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 1wgv n ALA 17 Cb 0.00 -2.36 0.02 0.00 0.00 0.00 0.00 19.45 17.10 1wgv n ALA 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wgv n VAL 18 N 4.64 0.00 -3.56 0.00 0.24 -1.26 -4.09 118.33 114.29 1wgv n VAL 18 Ca 0.23 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 62.07 1wgv n VAL 18 Cb 0.23 -1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 31.52 1wgv n VAL 18 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wgv s ARG 19 N -2.70 0.60 0.04 7.34 1.81 -1.24 -4.94 118.95 119.87 1wgv s ARG 19 Ca 0.13 -0.00 0.24 0.00 -1.72 0.00 0.00 55.73 54.37 1wgv s ARG 19 Cb -0.01 0.28 0.97 0.00 -0.45 0.00 0.00 34.95 35.75 1wgv s ARG 19 CO 0.08 -0.22 1.75 -0.85 -0.68 0.00 0.00 175.30 175.38 1wgv n GLU 20 N 0.38 0.04 -0.10 3.54 0.28 -1.26 -3.47 120.64 120.06 1wgv n GLU 20 Ca -0.08 0.14 -0.17 0.00 -0.16 0.00 0.00 57.16 56.89 1wgv n GLU 20 Cb 0.59 -1.56 -0.08 0.00 1.43 0.00 0.00 31.44 31.82 1wgv n GLU 20 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wgv n ASN 21 N -1.64 1.86 -3.66 -1.84 5.15 -1.26 -5.00 115.26 108.86 1wgv n ASN 21 Ca 0.05 0.48 -0.11 0.00 -0.60 0.00 0.00 54.58 54.40 1wgv n ASN 21 Cb 0.29 -0.91 -0.08 0.00 -0.53 0.00 0.00 39.78 38.54 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 -2.36 -0.79 0.18 1.20 -0.85 -1.23 -4.76 117.35 108.74 1wgv s TYR 22 Ca -0.25 1.76 -0.20 0.00 -0.52 0.00 0.00 57.07 57.86 1wgv s TYR 22 Cb 0.05 0.37 -0.08 0.00 0.38 0.00 0.00 41.96 42.68 1wgv s TYR 22 CO 0.46 -0.39 0.69 0.95 -1.52 0.00 0.00 175.55 175.73 1wgv s THR 23 N 0.90 4.58 0.12 -3.49 -4.23 -1.00 -3.72 115.64 108.82 1wgv s THR 23 Ca -0.05 1.32 -0.15 0.00 -1.18 0.00 0.00 61.69 61.63 1wgv s THR 23 Cb -0.05 -3.91 0.03 0.00 1.34 0.00 0.00 72.50 69.91 1wgv s THR 23 CO -0.08 0.34 0.38 -1.66 -0.54 0.00 0.00 174.62 173.06 1wgv s TRP 24 N -1.37 -0.16 0.13 3.99 1.48 -1.26 -0.39 118.94 121.37 1wgv s TRP 24 Ca 0.38 -0.17 -0.09 0.00 -1.06 0.00 0.00 56.10 55.16 1wgv s TRP 24 Cb -0.18 0.22 -0.00 0.00 -1.16 0.00 0.00 33.47 32.35 1wgv s TRP 24 CO 0.22 -0.69 0.26 -1.12 -4.06 0.00 0.00 176.95 171.56 1wgv s SER 25 N -2.81 0.05 -0.10 -2.66 0.01 -0.80 -4.17 113.70 103.22 1wgv s SER 25 Ca 0.03 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.60 1wgv s SER 25 Cb 0.02 0.40 -0.00 0.00 0.21 0.00 0.00 66.02 66.65 1wgv s SER 25 CO -0.12 -0.82 -0.22 -1.58 0.41 0.00 0.00 173.24 170.91 1wgv s GLN 26 N -3.91 3.03 0.53 12.44 0.74 -1.26 -3.21 119.66 128.02 1wgv s GLN 26 Ca 0.11 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.69 1wgv s GLN 26 Cb 0.04 -2.34 0.01 0.00 1.10 0.00 0.00 33.01 31.82 1wgv s GLN 26 CO -0.06 0.22 0.11 -0.51 -0.55 0.00 0.00 175.29 174.50 1wgv s ASP 27 N 0.25 4.28 0.17 6.67 1.11 -0.92 -4.94 116.67 123.29 1wgv s ASP 27 Ca -0.15 -1.59 -0.28 0.00 0.18 0.00 0.00 52.55 50.71 1wgv s ASP 27 Cb -0.17 0.61 -0.02 0.00 1.07 0.00 0.00 42.92 44.42 1wgv s ASP 27 CO 0.07 -0.97 1.52 0.00 1.18 0.00 0.00 175.17 176.97 1wgv n TYR 28 N -1.43 -0.35 -3.00 4.23 4.19 -1.26 -3.91 117.16 115.63 1wgv n TYR 28 Ca -0.16 1.23 -0.15 0.00 3.31 0.00 0.00 57.90 62.13 1wgv n TYR 28 Cb 0.66 -0.63 -0.02 0.00 0.49 0.00 0.00 39.34 39.84 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 -5.27 -0.43 0.00 2.97 5.66 -1.26 -5.11 114.28 110.84 1wgv n THR 29 Ca 0.03 -2.35 0.00 0.00 -3.05 0.00 0.00 64.05 58.68 1wgv n THR 29 Cb 0.28 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 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 2.23 0.00 -4.57 1.09 9.92 -1.25 -4.75 116.55 119.22 1wgv n ASP 30 Ca 0.19 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.17 1wgv n ASP 30 Cb 0.55 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.94 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wgv s LEU 31 N 0.00 2.99 -0.17 0.64 1.02 -1.10 -2.17 118.68 119.90 1wgv s LEU 31 Ca 0.00 -0.51 -0.05 0.00 0.02 0.00 0.00 54.13 53.59 1wgv s LEU 31 Cb 0.00 -1.72 0.08 0.00 0.02 0.00 0.00 46.19 44.57 1wgv s LEU 31 CO 0.00 0.13 0.32 -0.70 0.02 0.00 0.00 176.35 176.12 1wgv s GLU 32 N -2.58 0.22 -0.08 1.70 2.12 -1.20 -2.30 118.70 116.59 1wgv s GLU 32 Ca 0.23 0.76 0.04 0.00 0.36 0.00 0.00 54.97 56.36 1wgv s GLU 32 Cb -0.10 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.22 1wgv s GLU 32 CO 0.14 -0.35 -0.19 0.54 -0.54 0.00 0.00 175.26 174.86 1wgv s VAL 33 N 2.48 1.68 -0.11 3.70 0.11 -1.14 -1.91 120.40 125.21 1wgv s VAL 33 Ca 0.02 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1wgv s VAL 33 Cb -0.13 -1.46 -0.02 0.00 -1.53 0.00 0.00 36.38 33.24 1wgv s VAL 33 CO -0.11 0.47 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.86 1wgv s ARG 34 N 0.38 3.20 -0.12 1.54 0.52 0.48 -2.50 118.95 122.46 1wgv s ARG 34 Ca -0.15 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1wgv s ARG 34 Cb -0.16 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.73 1wgv s ARG 34 CO 0.06 0.28 -0.12 0.08 0.02 0.00 0.00 175.30 175.63 1wgv s VAL 35 N 0.16 3.20 0.31 3.52 1.01 -0.27 -2.36 120.40 125.97 1wgv s VAL 35 Ca -0.08 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1wgv s VAL 35 Cb -0.15 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 1wgv s VAL 35 CO 0.05 0.53 1.07 -2.16 0.00 0.00 0.00 175.10 174.60 1wgv s PRO 36 N 0.16 4.54 0.19 2.72 0.04 -1.26 0.20 135.00 141.59 1wgv s PRO 36 Ca -0.06 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.76 1wgv s PRO 36 Cb -0.15 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1wgv s PRO 36 CO 0.05 0.15 -0.15 0.14 0.04 0.00 0.00 177.00 177.22 1wgv s VAL 37 N -1.29 1.71 1.06 -0.36 -7.23 -0.96 -4.84 120.40 108.50 1wgv s VAL 37 Ca 0.48 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.38 1wgv s VAL 37 Cb -0.29 -1.95 0.23 0.00 0.56 0.00 0.00 36.38 34.93 1wgv s VAL 37 CO 0.37 -0.52 1.21 -2.16 -0.31 0.00 0.00 175.10 173.69 1wgv s PRO 38 N -3.36 -0.11 -0.00 4.82 0.04 -1.26 -4.36 135.00 130.76 1wgv s PRO 38 Ca 0.20 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.10 1wgv s PRO 38 Cb -0.02 -1.74 0.16 0.00 0.04 0.00 0.00 34.50 32.94 1wgv s PRO 38 CO 0.06 -2.95 1.13 1.63 0.04 0.00 0.00 177.00 176.91 1wgv n LYS 39 N -4.20 1.42 0.00 4.56 4.76 -1.26 -2.80 118.16 120.64 1wgv n LYS 39 Ca 0.13 -0.64 0.05 0.00 -2.87 0.00 0.00 58.31 54.98 1wgv n LYS 39 Cb 0.59 -1.14 0.01 0.00 -1.84 0.00 0.00 35.03 32.66 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 0.02 0.00 -3.56 2.13 1.44 -1.26 -4.79 115.22 109.20 1wgv n HIS 40 Ca 0.06 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.36 1wgv n HIS 40 Cb 0.15 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.21 4.83 0.00 0.61 1.01 -1.12 -4.81 120.40 119.71 1wgv s VAL 41 Ca 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1wgv s VAL 41 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1wgv s VAL 41 CO 0.21 -0.20 0.00 1.33 0.00 0.00 0.00 175.10 176.44 1wgv n VAL 42 N 5.05 0.00 -2.90 2.92 0.24 -1.26 -1.73 118.33 120.65 1wgv n VAL 42 Ca -0.12 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 1wgv n VAL 42 Cb 0.47 -0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.45 4.42 0.54 7.34 -0.14 -1.26 -4.37 119.74 124.82 1wgv s LYS 43 Ca 0.00 1.08 0.32 0.00 -1.36 0.00 0.00 55.97 56.01 1wgv s LYS 43 Cb 0.00 -3.49 1.49 0.00 -1.68 0.00 0.00 37.83 34.15 1wgv s LYS 43 CO 0.00 -0.10 1.86 0.78 -0.76 0.00 0.00 175.35 177.13 1wgv h GLY 44 N 7.30 0.00 2.00 -3.33 0.00 -1.92 1.48 103.07 108.61 1wgv h GLY 44 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1wgv h GLY 44 CO 0.78 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.90 1wgv n LYS 45 N -4.18 0.11 0.09 4.80 2.85 -1.26 -0.35 118.16 120.21 1wgv n LYS 45 Ca 0.19 0.50 0.13 0.00 -1.05 0.00 0.00 58.31 58.08 1wgv n LYS 45 Cb 1.00 -1.78 0.42 0.00 -0.65 0.00 0.00 35.03 34.02 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 -1.99 0.24 -4.26 -1.58 6.02 0.51 -4.81 117.38 111.50 1wgv n GLN 46 Ca 0.00 0.19 -0.17 0.00 -0.01 0.00 0.00 57.00 57.01 1wgv n GLN 46 Cb 0.10 -1.77 -0.11 0.00 1.02 0.00 0.00 30.24 29.48 1wgv n GLN 46 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wgv s VAL 47 N -3.09 1.35 -0.03 5.09 -7.23 0.52 0.20 120.40 117.21 1wgv s VAL 47 Ca 0.11 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1wgv s VAL 47 Cb 0.13 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1wgv s VAL 47 CO 0.59 -0.50 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.22 1wgv s SER 48 N -2.70 3.37 -0.02 4.85 0.01 0.14 -4.91 113.70 114.44 1wgv s SER 48 Ca 0.12 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1wgv s SER 48 Cb -0.03 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.70 1wgv s SER 48 CO 0.03 0.33 -0.02 -0.69 0.41 0.00 0.00 173.24 173.30 1wgv s VAL 49 N -0.64 0.25 -0.07 3.43 1.01 -1.26 -2.63 120.40 120.50 1wgv s VAL 49 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1wgv s VAL 49 Cb -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1wgv s VAL 49 CO -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 175.10 175.16 1wgv s ALA 50 N 0.39 0.92 -0.18 5.51 0.00 -1.21 -4.96 121.76 122.24 1wgv s ALA 50 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1wgv s ALA 50 Cb -0.07 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1wgv s ALA 50 CO -0.01 -0.24 -0.13 -0.51 0.00 0.00 0.00 175.76 174.88 1wgv s LEU 51 N 1.41 2.06 0.07 0.00 1.43 -1.26 -3.35 118.68 119.04 1wgv s LEU 51 Ca -0.03 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1wgv s LEU 51 Cb -0.13 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1wgv s LEU 51 CO -0.03 -0.09 0.00 -0.24 0.23 0.00 0.00 176.35 176.21 1wgv n SER 52 N 4.70 0.62 0.00 2.29 2.88 -1.25 -4.98 113.62 117.89 1wgv n SER 52 Ca -0.16 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wgv n SER 52 Cb 0.48 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1wgv n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wgv n SER 53 N -3.09 0.00 -1.64 -3.46 3.41 -1.26 -4.60 113.62 102.98 1wgv n SER 53 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1wgv n SER 53 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 3.24 -3.60 4.04 2.88 -1.26 -0.91 113.62 118.01 1wgv n SER 54 Ca 0.00 -3.47 -0.16 0.00 -1.33 0.00 0.00 58.87 53.91 1wgv n SER 54 Cb 0.00 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.39 -0.57 0.01 -3.46 1.04 -1.26 0.33 113.70 106.40 1wgv s SER 55 Ca 0.43 0.75 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1wgv s SER 55 Cb 0.39 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 67.19 1wgv s SER 55 CO -0.02 -0.48 0.07 -0.51 0.98 0.00 0.00 173.24 173.29 1wgv s ILE 56 N -0.81 0.10 -0.02 -1.02 -1.16 -1.07 -3.84 121.20 113.38 1wgv s ILE 56 Ca -0.09 -0.84 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 1wgv s ILE 56 Cb -0.02 -0.46 0.02 0.00 0.61 0.00 0.00 42.46 42.61 1wgv s ILE 56 CO 0.07 -0.46 0.02 -0.60 -2.81 0.00 0.00 174.94 171.15 1wgv s ARG 57 N -1.62 0.01 -0.24 3.50 3.52 -1.21 -2.09 118.95 120.82 1wgv s ARG 57 Ca -0.13 0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1wgv s ARG 57 Cb -0.07 -0.24 0.09 0.00 -1.56 0.00 0.00 34.95 33.16 1wgv s ARG 57 CO -0.00 -0.13 0.13 0.08 -0.81 0.00 0.00 175.30 174.57 1wgv s VAL 58 N 0.88 -0.12 0.14 7.11 1.01 0.51 -3.30 120.40 126.63 1wgv s VAL 58 Ca -0.08 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1wgv s VAL 58 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1wgv s VAL 58 CO -0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 175.10 174.47 1wgv s ALA 59 N 2.15 1.49 0.01 5.51 0.00 -1.08 0.13 121.76 129.97 1wgv s ALA 59 Ca 0.06 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1wgv s ALA 59 Cb -0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1wgv s ALA 59 CO -0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 175.76 175.49 1wgv s MET 60 N -3.26 0.25 0.08 0.00 0.23 0.48 -0.68 119.30 116.40 1wgv s MET 60 Ca 0.13 -0.30 -0.30 0.00 -1.03 0.00 0.00 55.69 54.19 1wgv s MET 60 Cb -0.01 -0.11 -0.05 0.00 -1.53 0.00 0.00 34.83 33.12 1wgv s MET 60 CO 0.02 0.02 1.06 -0.51 -2.03 0.00 0.00 175.02 173.59 1wgv s LEU 61 N -0.61 4.42 -0.02 0.18 1.43 0.53 -0.37 118.68 124.25 1wgv s LEU 61 Ca -0.05 1.88 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 1wgv s LEU 61 Cb -0.04 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1wgv s LEU 61 CO -0.00 -0.27 -0.03 -0.62 0.23 0.00 0.00 176.35 175.66 1wgv n GLU 62 N 3.32 0.06 0.04 1.70 -0.58 -0.67 -4.89 120.64 119.62 1wgv n GLU 62 Ca 0.05 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1wgv n GLU 62 Cb 0.48 -0.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 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 -2.66 0.00 0.00 3.49 2.13 -1.26 -4.92 120.64 117.42 1wgv n GLU 63 Ca -0.01 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.93 1wgv n GLU 63 Cb 0.05 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.03 1wgv n GLU 63 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wgv n ASN 64 N -2.52 1.06 0.00 4.31 4.13 -1.26 -4.97 115.26 116.01 1wgv n ASN 64 Ca 0.00 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.40 1wgv n ASN 64 Cb 0.00 0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 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 1.39 3.08 3.77 7.41 0.00 -1.26 -5.19 105.19 114.39 1wgv n GLY 65 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 4.51 2.08 -0.03 1.61 1.03 -1.26 -1.67 118.70 124.98 1wgv s GLU 66 Ca 0.00 -1.38 -0.02 0.00 0.03 0.00 0.00 54.97 53.60 1wgv s GLU 66 Cb 0.00 0.60 0.01 0.00 -0.80 0.00 0.00 34.13 33.94 1wgv s GLU 66 CO 0.00 -0.96 0.08 0.50 -1.33 0.00 0.00 175.26 173.55 1wgv s ARG 67 N -2.79 0.08 -0.74 -4.83 3.52 0.50 -4.82 118.95 109.86 1wgv s ARG 67 Ca 0.17 0.12 -0.22 0.00 -0.13 0.00 0.00 55.73 55.67 1wgv s ARG 67 Cb -0.05 0.02 0.08 0.00 -1.56 0.00 0.00 34.95 33.45 1wgv s ARG 67 CO 0.11 -0.02 1.02 0.08 -0.81 0.00 0.00 175.30 175.68 1wgv s VAL 68 N 0.12 4.41 0.07 7.11 1.01 -1.26 -0.39 120.40 131.47 1wgv s VAL 68 Ca -0.01 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 1wgv s VAL 68 Cb -0.01 -4.72 -0.18 0.00 0.00 0.00 0.00 36.38 31.46 1wgv s VAL 68 CO -0.00 -1.49 1.62 -0.07 0.00 0.00 0.00 175.10 175.16 1wgv h LEU 69 N 11.18 -0.62 -7.79 3.92 3.38 -0.66 -3.45 115.31 121.28 1wgv h LEU 69 Ca -0.16 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 1wgv h LEU 69 Cb 1.06 0.16 -0.24 0.00 0.09 0.00 0.00 40.66 41.73 1wgv h LEU 69 CO 1.17 -0.43 -0.64 -0.32 0.09 0.00 0.00 178.44 178.32 1wgv s MET 70 N -6.00 0.23 -0.28 1.13 0.00 -0.20 -4.78 119.30 109.39 1wgv s MET 70 Ca -0.17 -0.23 -0.36 0.00 0.00 0.00 0.00 55.69 54.92 1wgv s MET 70 Cb 0.04 0.09 0.16 0.00 0.00 0.00 0.00 34.83 35.12 1wgv s MET 70 CO 0.62 -0.04 1.36 -2.00 0.00 0.00 0.00 175.02 174.96 1wgv s GLU 71 N -0.72 0.06 0.00 4.11 2.12 -1.26 0.19 118.70 123.20 1wgv s GLU 71 Ca -0.08 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1wgv s GLU 71 Cb -0.05 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.37 1wgv s GLU 71 CO 0.00 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1wgv n GLY 72 N 0.09 4.35 3.70 -1.50 0.00 -0.89 -5.00 105.19 105.94 1wgv n GLY 72 Ca 0.04 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1wgv n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgv s LYS 73 N -3.13 4.22 0.89 1.61 1.02 -1.26 -2.61 119.74 120.48 1wgv s LYS 73 Ca 0.00 2.28 -0.11 0.00 0.02 0.00 0.00 55.97 58.16 1wgv s LYS 73 Cb 0.00 -3.44 0.12 0.00 -0.52 0.00 0.00 37.83 34.00 1wgv s LYS 73 CO 0.00 -0.65 1.10 -0.51 -0.92 0.00 0.00 175.35 174.37 1wgv s LEU 74 N 2.05 2.54 0.08 3.17 1.43 0.15 -2.63 118.68 125.47 1wgv s LEU 74 Ca 0.71 1.79 -0.15 0.00 -1.03 0.00 0.00 54.13 55.45 1wgv s LEU 74 Cb -0.40 -4.24 -0.12 0.00 0.03 0.00 0.00 46.19 41.46 1wgv s LEU 74 CO 0.31 -2.72 1.35 0.71 0.23 0.00 0.00 176.35 176.23 1wgv h THR 75 N -1.60 1.32 -4.30 5.49 1.35 -1.53 -3.43 112.91 110.20 1wgv h THR 75 Ca -0.47 -1.63 -0.37 0.00 -0.55 0.00 0.00 66.41 63.39 1wgv h THR 75 Cb 1.27 1.81 -0.08 0.00 -1.73 0.00 0.00 68.15 69.42 1wgv h THR 75 CO 0.50 0.51 -0.30 1.41 -0.25 0.00 0.00 175.52 177.39 1wgv n HIS 76 N -4.21 0.22 -2.38 4.73 8.25 -1.26 -5.05 115.22 115.52 1wgv n HIS 76 Ca -0.05 -1.67 -0.24 0.00 -0.26 0.00 0.00 57.72 55.50 1wgv n HIS 76 Cb 0.55 -0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.67 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 -3.03 2.26 0.17 -0.41 1.02 -1.26 -4.19 119.74 114.30 1wgv s LYS 77 Ca 0.11 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 1wgv s LYS 77 Cb 0.01 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1wgv s LYS 77 CO 0.08 -1.08 0.37 0.96 -0.92 0.00 0.00 175.35 174.75 1wgv s ILE 78 N -3.08 0.05 -1.16 2.17 -5.25 -0.08 -3.96 121.20 109.89 1wgv s ILE 78 Ca 0.60 -1.17 -0.10 0.00 -0.99 0.00 0.00 60.65 58.99 1wgv s ILE 78 Cb -0.10 -1.74 0.24 0.00 2.95 0.00 0.00 42.46 43.80 1wgv s ILE 78 CO 0.42 -0.24 1.33 -3.20 -1.79 0.00 0.00 174.94 171.47 1wgv n ASN 79 N -0.26 5.51 -0.50 4.36 2.85 -1.22 -4.61 115.26 121.39 1wgv n ASN 79 Ca -0.08 -3.07 0.41 0.00 -0.11 0.00 0.00 54.58 51.72 1wgv n ASN 79 Cb 0.63 -1.44 0.66 0.00 1.24 0.00 0.00 39.78 40.87 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 3.18 -0.16 0.11 -0.44 -2.24 -1.26 0.15 114.28 113.61 1wgv n THR 80 Ca 0.30 1.57 -0.12 0.00 -2.27 0.00 0.00 64.05 63.52 1wgv n THR 80 Cb 0.39 -2.58 -0.06 0.00 -2.10 0.00 0.00 70.33 65.98 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 -0.36 0.00 -0.78 5.08 -1.94 -2.22 114.58 114.36 1wgv h GLU 81 Ca 0.83 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 59.09 1wgv h GLU 81 Cb 2.87 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 32.19 1wgv h GLU 81 CO -0.30 -0.24 -0.59 0.77 -1.00 0.00 0.00 179.01 177.65 1wgv h SER 82 N -0.37 0.00 -3.92 1.42 0.02 0.99 -3.44 113.55 108.24 1wgv h SER 82 Ca 0.02 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.46 1wgv h SER 82 Cb 0.39 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.99 1wgv h SER 82 CO -0.10 0.59 0.55 -0.44 -1.14 0.00 0.00 176.83 176.29 1wgv s SER 83 N -6.65 6.55 0.36 3.07 0.01 0.60 -4.79 113.70 112.85 1wgv s SER 83 Ca 0.00 2.47 0.06 0.00 1.31 0.00 0.00 55.95 59.80 1wgv s SER 83 Cb 0.11 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1wgv s SER 83 CO 0.75 -0.67 0.24 -1.48 0.41 0.00 0.00 173.24 172.49 1wgv s LEU 84 N -2.30 1.84 -0.29 2.44 0.05 -0.26 -4.85 118.68 115.31 1wgv s LEU 84 Ca 0.55 -1.76 -0.15 0.00 0.05 0.00 0.00 54.13 52.82 1wgv s LEU 84 Cb -0.34 0.35 0.13 0.00 -2.05 0.00 0.00 46.19 44.27 1wgv s LEU 84 CO 0.44 -1.04 0.84 -1.66 -0.55 0.00 0.00 176.35 174.38 1wgv s TRP 85 N -3.34 -0.85 -0.06 3.48 1.48 -1.26 -0.42 118.94 117.97 1wgv s TRP 85 Ca 0.34 1.63 0.02 0.00 -1.06 0.00 0.00 56.10 57.03 1wgv s TRP 85 Cb 0.02 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.85 1wgv s TRP 85 CO 0.24 -0.42 -0.10 -1.54 -4.06 0.00 0.00 176.95 171.06 1wgv s SER 86 N 1.80 1.64 0.06 -2.66 1.04 0.11 -4.99 113.70 110.70 1wgv s SER 86 Ca -0.08 -0.27 -0.18 0.00 0.48 0.00 0.00 55.95 55.91 1wgv s SER 86 Cb -0.06 -0.75 -0.06 0.00 0.10 0.00 0.00 66.02 65.25 1wgv s SER 86 CO -0.17 0.01 0.52 -0.22 0.98 0.00 0.00 173.24 174.36 1wgv s LEU 87 N 0.78 4.49 -0.07 2.42 1.98 -1.26 -1.20 118.68 125.83 1wgv s LEU 87 Ca -0.13 1.16 0.05 0.00 -2.89 0.00 0.00 54.13 52.33 1wgv s LEU 87 Cb -0.15 -2.85 -0.01 0.00 0.66 0.00 0.00 46.19 43.84 1wgv s LEU 87 CO 0.02 0.27 -0.24 -1.61 -1.89 0.00 0.00 176.35 172.90 1wgv s GLU 88 N -1.19 2.75 -0.11 1.98 2.02 -0.93 -4.95 118.70 118.28 1wgv s GLU 88 Ca 0.28 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1wgv s GLU 88 Cb -0.18 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1wgv s GLU 88 CO 0.18 0.31 1.25 -1.25 0.02 0.00 0.00 175.26 175.77 1wgv s PRO 89 N 0.01 4.29 -1.27 0.39 0.04 -1.26 -3.40 135.00 133.80 1wgv s PRO 89 Ca -0.09 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 1wgv s PRO 89 Cb -0.15 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1wgv s PRO 89 CO 0.05 -0.59 0.88 0.41 0.04 0.00 0.00 177.00 177.80 1wgv n GLY 90 N 3.51 -0.35 0.00 0.56 0.00 -0.71 -4.87 105.19 103.34 1wgv n GLY 90 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.27 0.00 -3.83 1.61 4.76 -1.22 -4.97 118.16 110.25 1wgv n LYS 91 Ca -0.26 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.11 1wgv n LYS 91 Cb 0.66 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.86 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 -2.72 3.94 -0.20 0.00 1.01 0.54 -2.18 120.40 120.79 1wgv s VAL 93 Ca 0.15 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1wgv s VAL 93 Cb -0.05 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1wgv s VAL 93 CO 0.09 0.41 0.21 -0.22 0.00 0.00 0.00 175.10 175.59 1wgv s LEU 94 N 1.16 4.18 -0.13 3.92 1.98 -0.34 -1.11 118.68 128.33 1wgv s LEU 94 Ca 0.03 0.29 -0.01 0.00 -2.89 0.00 0.00 54.13 51.55 1wgv s LEU 94 Cb -0.14 -2.22 0.04 0.00 0.66 0.00 0.00 46.19 44.53 1wgv s LEU 94 CO 0.01 0.09 -0.03 -0.69 -1.89 0.00 0.00 176.35 173.84 1wgv s VAL 95 N 0.74 0.81 -0.18 1.68 1.01 -1.04 0.05 120.40 123.47 1wgv s VAL 95 Ca 0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1wgv s VAL 95 Cb -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1wgv s VAL 95 CO 0.03 0.17 0.26 0.20 0.00 0.00 0.00 175.10 175.76 1wgv s ASN 96 N 1.77 6.35 -0.09 3.32 0.01 0.44 -2.87 114.94 123.88 1wgv s ASN 96 Ca 0.03 0.41 0.01 0.00 -0.71 0.00 0.00 52.86 52.59 1wgv s ASN 96 Cb -0.14 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 1wgv s ASN 96 CO -0.07 0.08 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.74 1wgv s LEU 97 N 0.66 2.99 0.21 0.60 1.43 -0.97 -1.11 118.68 122.49 1wgv s LEU 97 Ca 0.14 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1wgv s LEU 97 Cb -0.13 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1wgv s LEU 97 CO 0.04 0.30 0.46 -0.55 0.23 0.00 0.00 176.35 176.82 1wgv s SER 98 N -0.44 6.48 0.06 2.29 0.15 -1.26 -2.70 113.70 118.29 1wgv s SER 98 Ca 0.06 0.65 -0.19 0.00 0.70 0.00 0.00 55.95 57.16 1wgv s SER 98 Cb -0.12 -2.11 -0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1wgv s SER 98 CO 0.02 -0.05 0.57 -0.54 1.20 0.00 0.00 173.24 174.44 1wgv s LYS 99 N -3.05 4.21 -0.41 5.44 1.02 -1.26 -3.39 119.74 122.30 1wgv s LYS 99 Ca 0.42 0.73 0.02 0.00 0.02 0.00 0.00 55.97 57.16 1wgv s LYS 99 Cb -0.11 -3.25 0.12 0.00 -0.52 0.00 0.00 37.83 34.07 1wgv s LYS 99 CO 0.26 0.62 0.19 0.08 -0.92 0.00 0.00 175.35 175.58 1wgv s VAL 100 N -1.03 1.49 0.00 3.17 1.01 -1.25 -4.56 120.40 119.24 1wgv s VAL 100 Ca 0.29 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 59.92 1wgv s VAL 100 Cb -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1wgv s VAL 100 CO 0.19 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1wgv n GLY 101 N 3.87 -1.23 3.56 4.51 0.00 -1.26 -4.74 105.19 109.90 1wgv n GLY 101 Ca 0.05 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.16 2.57 0.14 1.61 2.02 -1.26 -4.92 118.70 115.70 1wgv s GLU 102 Ca 0.00 0.14 0.06 0.00 0.02 0.00 0.00 54.97 55.20 1wgv s GLU 102 Cb 0.00 -4.75 -0.04 0.00 0.10 0.00 0.00 34.13 29.44 1wgv s GLU 102 CO 0.00 -3.10 -0.15 0.71 0.02 0.00 0.00 175.26 172.75 1wgv s TYR 103 N 9.71 1.48 -0.56 1.61 2.02 -1.26 -5.10 117.35 125.25 1wgv s TYR 103 Ca 0.69 -0.55 -0.15 0.00 -0.37 0.00 0.00 57.07 56.69 1wgv s TYR 103 Cb -0.10 -0.76 0.14 0.00 -0.40 0.00 0.00 41.96 40.84 1wgv s TYR 103 CO 0.09 0.19 0.51 1.67 -1.57 0.00 0.00 175.55 176.44 1wgv s TRP 104 N -2.25 3.30 -1.14 2.71 -2.14 -1.26 -4.98 118.94 113.19 1wgv s TRP 104 Ca 0.11 -1.39 -0.22 0.00 2.66 0.00 0.00 56.10 57.27 1wgv s TRP 104 Cb -0.04 -3.78 -0.02 0.00 -3.10 0.00 0.00 33.47 26.53 1wgv s TRP 104 CO 0.04 -1.02 1.81 -1.58 -2.66 0.00 0.00 176.95 173.54 1wgv s TRP 105 N 1.46 2.24 -1.49 1.66 0.52 -1.26 -4.68 118.94 117.40 1wgv s TRP 105 Ca 0.04 -0.28 0.21 0.00 0.02 0.00 0.00 56.10 56.09 1wgv s TRP 105 Cb -0.28 -4.33 1.09 0.00 -1.15 0.00 0.00 33.47 28.80 1wgv s TRP 105 CO 0.02 -1.59 1.67 0.27 0.02 0.00 0.00 176.95 177.34 1wgv n ASN 106 N 11.81 0.00 -1.67 2.95 0.23 -1.26 -4.87 115.26 122.45 1wgv n ASN 106 Ca 0.43 -0.09 0.01 0.00 -0.53 0.00 0.00 54.58 54.40 1wgv n ASN 106 Cb 0.47 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wgv n ALA 107 N -1.25 -0.86 -0.12 -2.53 0.00 -1.26 -2.68 120.51 111.81 1wgv n ALA 107 Ca 0.11 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1wgv n ALA 107 Cb 0.16 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.22 1.47 -3.25 0.00 2.08 -1.26 -4.73 119.36 113.44 1wgv n ILE 108 Ca 0.01 -0.20 -0.16 0.00 0.56 0.00 0.00 62.75 62.96 1wgv n ILE 108 Cb 0.14 -2.01 0.04 0.00 -0.75 0.00 0.00 39.64 37.05 1wgv n ILE 108 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wgv n LEU 109 N -4.26 0.00 -0.04 1.39 4.77 -1.26 -1.68 117.00 115.92 1wgv n LEU 109 Ca -0.40 -1.92 -0.05 0.00 -0.03 0.00 0.00 56.01 53.62 1wgv n LEU 109 Cb 0.75 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1wgv n LEU 109 CO 0.08 -0.61 -0.73 -0.62 -1.33 0.00 0.00 177.39 174.19 1wgv n GLU 110 N -1.78 0.65 -0.12 3.23 1.02 -1.08 -4.20 120.64 118.36 1wgv n GLU 110 Ca 0.08 0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1wgv n GLU 110 Cb 0.45 -1.67 0.10 0.00 -0.02 0.00 0.00 31.44 30.30 1wgv n GLU 110 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wgv h GLY 111 N 3.80 0.91 -0.24 0.62 0.00 -1.97 -3.44 103.07 102.75 1wgv h GLY 111 Ca -0.32 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.25 1wgv h GLY 111 CO 0.04 0.64 -0.03 -1.84 0.00 0.00 0.00 176.54 175.36 1wgv n GLU 112 N -4.16 -1.02 -4.60 4.80 -0.00 -1.26 -4.99 120.64 109.41 1wgv n GLU 112 Ca 0.02 -0.23 -0.33 0.00 -0.00 0.00 0.00 57.16 56.61 1wgv n GLU 112 Cb 0.37 -0.40 -0.11 0.00 -0.00 0.00 0.00 31.44 31.30 1wgv n GLU 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1wgv s GLU 113 N -2.43 2.69 -0.18 3.44 2.02 -1.26 -5.05 118.70 117.93 1wgv s GLU 113 Ca 0.11 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 1wgv s GLU 113 Cb -0.02 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 1wgv s GLU 113 CO 0.09 0.65 1.29 -1.25 0.02 0.00 0.00 175.26 176.06 1wgv s PRO 114 N -0.94 4.18 0.98 0.39 0.04 -1.26 -4.73 135.00 133.65 1wgv s PRO 114 Ca 0.13 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1wgv s PRO 114 Cb -0.11 -3.79 0.18 0.00 0.04 0.00 0.00 34.50 30.82 1wgv s PRO 114 CO 0.03 -0.78 1.14 0.96 0.04 0.00 0.00 177.00 178.39 1wgv s ILE 115 N 3.68 1.93 -1.26 0.56 -4.36 -1.09 -4.93 121.20 115.74 1wgv s ILE 115 Ca 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.82 1wgv s ILE 115 Cb -0.21 -2.68 0.16 0.00 1.25 0.00 0.00 42.46 40.98 1wgv s ILE 115 CO 0.16 0.00 1.66 0.47 0.24 0.00 0.00 174.94 177.47 1wgv n ASP 116 N -4.02 5.09 -0.22 4.36 9.92 -1.26 -4.96 116.55 125.46 1wgv n ASP 116 Ca 0.08 -3.02 0.00 0.00 -0.53 0.00 0.00 54.79 51.32 1wgv n ASP 116 Cb 0.59 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1wgv n ASP 116 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1wgv n ILE 117 N 4.30 0.00 0.19 0.53 2.08 -1.26 -4.01 119.36 121.18 1wgv n ILE 117 Ca 0.40 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.57 1wgv n ILE 117 Cb 0.40 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.22 1wgv n ILE 117 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1wgv h ASP 118 N 0.00 -0.42 -2.35 4.38 3.04 -1.96 -3.49 116.42 115.63 1wgv h ASP 118 Ca 0.00 -0.13 0.25 0.00 -3.24 0.00 0.00 57.03 53.91 1wgv h ASP 118 Cb 0.00 0.11 -0.08 0.00 -1.04 0.00 0.00 39.33 38.32 1wgv h ASP 118 CO 0.00 -0.07 -0.47 -1.54 -2.04 0.00 0.00 179.24 175.12 1wgv n SER 119 N -5.18 -5.65 -3.75 4.15 3.41 -1.26 -4.97 113.62 100.36 1wgv n SER 119 Ca -0.10 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1wgv n SER 119 Cb 0.28 -3.33 -0.09 0.00 -0.26 0.00 0.00 64.21 60.80 1wgv n SER 119 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wgv s GLY 120 N -5.40 -0.18 -0.85 5.00 0.00 -1.26 -5.04 107.32 99.59 1wgv s GLY 120 Ca 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.10 1wgv s GLY 120 CO 0.00 0.24 2.59 -1.55 0.00 0.00 0.00 173.10 174.38 1wgv n PRO 121 N 1.49 2.38 -3.35 2.90 -0.04 -1.26 -4.67 135.00 132.45 1wgv n PRO 121 Ca -0.20 -1.46 -0.35 0.00 -0.04 0.00 0.00 63.50 61.45 1wgv n PRO 121 Cb 0.56 -2.38 0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1wgv n PRO 121 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgv n SER 122 N 3.53 -5.22 -3.17 3.54 7.64 -1.26 -4.97 113.62 113.71 1wgv n SER 122 Ca 0.51 -0.12 0.02 0.00 1.01 0.00 0.00 58.87 60.29 1wgv n SER 122 Cb 0.33 -1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 62.03 1wgv n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgv s SER 123 N -1.34 -1.48 0.00 6.43 0.15 -1.26 -5.29 113.70 110.92 1wgv s SER 123 Ca 0.34 -0.46 0.10 0.00 0.70 0.00 0.00 55.95 56.64 1wgv s SER 123 Cb -0.03 1.90 0.08 0.00 -1.71 0.00 0.00 66.02 66.25 1wgv s SER 123 CO 0.77 -0.20 0.82 0.61 1.20 0.00 0.00 173.24 176.44